H-1152 - ≥98% , CAS No.451462-58-1

CAS: 451462-58-1 Cat. No.: H125533 Fórmula: C₁₆H₂₁N₃O₂S Peso molecular: 319.42 Número EC: 636-943-5

CALIDAD & PUREZA ≥98%

Synonyms

DTXSID20735620 | Methyl (2S)-2-{[(benzyloxy)carbonyl]-amino}-3-hydroxypropanoate | dimethylfasudil | SCHEMBL124161 | NCGC00378616-03 | H-1152P | HY-15720 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline | 2gnh | H52 | 4-methyl-5-[(2S)-2

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

H-1152, an isoquinolinesulfonamide derivative, is a more specific, stronger and membrane-permeable inhibitor of Rho-kinase with a Ki value of 1.6 nM, but poor inhibitor of other serine/threonine kinases.
A cell permeable, highly specific, and potent ATP-competitive inhibitor of ρ-kinase inhibitor。

Especificaciones

Sinónimos

DTXSID20735620 | Methyl (2S)-2-{[(benzyloxy)carbonyl]-amino}-3-hydroxypropanoate | dimethylfasudil | SCHEMBL124161 | NCGC00378616-03 | H-1152P | HY-15720 | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline | 2gnh | H52 | 4-methyl-5-[(2S)-2

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

H-1152 is a selective ATP-competitive inhibitor of rho-kinase (ROCK) inhibitor, cell permeable, highly specific, and potent (Ki = 1.6 nM). Exhibits weaker affinity for other serine/threonine kinases (Ki = 630 nM for PKA, 9.27mM for PKC and 10.1 mM for MLC

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C

IUPAC Name

4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

InChIKey

AWDORCFLUJZUQS-ZDUSSCGKSA-N

INCHI

1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1

Isómeros SMILES

C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C

Peso molecular

319.42

Reaxy-Rn

11636579

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11636579&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Methylpyridines 1,4-diazepanes Organosulfonamides Benzenoids Sulfonyls Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - 1,4-diazepane - Diazepane - Methylpyridine - Pyridine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

ROCK2 Tclin Rho-associated protein kinase 2 (3 Activities)

Discover Target: ROCK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ROCK1 Tclin Rho-associated protein kinase 1 (3 Activities)

Discover Target: ROCK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DAPK3 Tchem Death-associated protein kinase 3 (2108 Activities)

Discover Target: DAPK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

Discover Target: MAPK11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKCZ Tchem Protein kinase C zeta (2414 Activities)

Discover Target: PRKCZ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP2K6 Tchem Dual specificity mitogen-activated protein kinase kinase 6 (1284 Activities)

Discover Target: MAP2K6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MYLK Tchem Myosin light chain kinase, smooth muscle (1267 Activities)

Discover Target: MYLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1G1 Tchem Casein kinase I gamma 1 (2496 Activities)

Discover Target: CSNK1G1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

STK3 Tchem Serine/threonine-protein kinase MST2 (3069 Activities)

Discover Target: STK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAMK2B Tchem CaM kinase II beta (1626 Activities)

Discover Target: CAMK2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK6 Tclin Cyclin-dependent kinase 6 (1724 Activities)

Discover Target: CDK6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

Discover Target: CHEK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)

Discover Target: PRKAA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

Discover Target: AKT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

Discover Target: IKBKB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

Discover Target: AURKB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

Discover Target: PIM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PKN2 Tchem Protein kinase N2 (1991 Activities)

Discover Target: PKN2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

Discover Target: CSK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

Discover Target: RPS6KA5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKD1 Tchem Protein kinase C mu (1904 Activities)

Discover Target: PRKD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)

Discover Target: JAK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

Discover Target: RPS6KA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAMK1 Tchem CaM kinase I alpha (1664 Activities)

Discover Target: CAMK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAMK4 Tbio CaM kinase IV (2116 Activities)

Discover Target: CAMK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP2K2 Tclin Dual specificity mitogen-activated protein kinase kinase 2 (1262 Activities)

Discover Target: MAP2K2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK13 Tchem MAP kinase p38 delta (2605 Activities)

Discover Target: MAPK13

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

Discover Target: MAPKAPK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPKAPK5 Tchem MAP kinase-activated protein kinase 5 (2831 Activities)

Discover Target: MAPKAPK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)

Discover Target: ROCK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

Discover Target: MAPK9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK10 Tchem c-Jun N-terminal kinase 3 (3396 Activities)

Discover Target: MAPK10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

Discover Target: MAP2K1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAMK2D Tchem CaM kinase II delta (2813 Activities)

Discover Target: CAMK2D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1G2 Tchem Casein kinase I gamma 2 (2539 Activities)

Discover Target: CSNK1G2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKCA Tchem Protein kinase C alpha (5923 Activities)

Discover Target: PRKCA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK3 Tchem MAP kinase ERK1 (4725 Activities)

Discover Target: MAPK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKACA Tchem cAMP-dependent protein kinase alpha-catalytic subunit (3475 Activities)

Discover Target: PRKACA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DYRK1A Tchem Dual-specificity tyrosine-phosphorylation regulated kinase 1A (6484 Activities)

Discover Target: DYRK1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAMK2A Tchem CaM kinase II alpha (1938 Activities)

Discover Target: CAMK2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SGK1 Tchem Serine/threonine-protein kinase Sgk1 (2343 Activities)

Discover Target: SGK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Camk2g CaM kinase II gamma (1 Activities)

Discover Target: Camk2g

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 25°C: DMSO
• Peso molecular: 319.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 319.135 Da
• Monoisotopic Mass: 319.135 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 476.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

No item-specific, vendor-validated application protocols were provided. The following is general, literature-based guidance for research use only.

Typical cell culture protocol (literature)

1. Prepare a 10–50 mM stock in anhydrous DMSO. Vortex until fully dissolved; brief sonication may help. Filter the working solutions (0.22 µm) if sterility is required.
2. Dilute the stock into pre-warmed culture medium to achieve 0.1–10 µM final concentration, keeping final DMSO ≤0.1–0.5% v/v. Mix thoroughly; add slowly to avoid local precipitation.
3. Incubate cells for the desired time (e.g., 30 min to 24 h) depending on endpoint: cytoskeletal remodeling (short), survival during passaging (short to medium), migration assays (variable).
4. Validate ROCK pathway engagement via biochemical readouts (e.g., reduced phospho‑MLC) or phenotypic markers (reduced stress fibers).
5. Include vehicle controls and, if possible, an orthogonal ROCK inhibitor as a control for specificity.

Biochemical kinase assay (general)

• Use optimized ATP concentration near Km to accentuate competitive inhibition. Include counter screens against related AGC kinases to assess selectivity.

Notes

• Pilot titration is essential to identify the minimal effective concentration for your cell type.
• This guidance is not a substitute for an item-specific data sheet. Refer to the CoA for any binding/solubility specifics, if available.

Biological Roles

General, literature-based information (non-clinical; not item-specific)

• Primary role: H‑1152 is widely used as a selective, potent small‑molecule inhibitor of Rho‑associated kinases ROCK1/ROCK2, central effectors of the RhoA GTPase pathway.
• Pathway impact: Inhibition of ROCK decreases phosphorylation of downstream substrates including myosin light chain (MLC) and LIM kinase pathways, attenuating actomyosin contractility, stress fiber formation, and focal adhesion maturation.
• Cellular phenotypes: ROCK inhibition commonly results in enhanced cell spreading, reduced blebbing, modulation of migration/invasion, increased endothelial barrier function, and promotion of neurite extension in neuronal models (assay- and cell-type dependent).
• Utility in stem cell biology: ROCK inhibitors are frequently used to improve survival of dissociated pluripotent stem cells during passaging or single‑cell cloning; H‑1152 serves as an alternative tool compound in such protocols (literature practice; confirm cell-line specific tolerability).
• Assay roles: Employed as a reference control in kinase selectivity profiling and phenotypic screens interrogating cytoskeletal dynamics and mechanotransduction.

Selectivity considerations (literature, qualitative)

• H‑1152 is generally considered more potent toward ROCK than first‑generation tool compounds, with reported high selectivity versus many AGC kinases; however, off‑target interactions can occur at higher concentrations. Empirical profiling in the intended assay system is recommended.

Note: This information describes research use only and does not imply any clinical utility.

Buffer Applications

This product is a bioactive small‑molecule inhibitor and is not used as a pH buffering agent. Accordingly, there are no standard “buffer recipes” associated with H‑1152.

Practical notes for buffer use in assays (general)

• Use standard biological buffers (e.g., PBS, HBSS, HEPES‑buffered media) compatible with your cells/assay.
• Maintain consistent buffer composition and pH across vehicle and treated groups to isolate the compound effect.
• If solubility is limited, slight acidification (compatible with cells) or inclusion of minimal co‑solvent (DMSO ≤0.1–0.5% v/v) may help; confirm cell viability.

For any item-specific buffer guidance (e.g., recommended reconstitution solvent, pH limits), refer to the CoA/Spec Sheet.

Green Alternatives

Context: As a bioactive tool compound, H‑1152 is selected for target engagement rather than process chemistry. “Green alternatives” primarily concern solvent choices and assay formats rather than replacing the active itself.

Greener handling strategies (general)

• Prefer aqueous-compatible stocks: Use the lowest feasible DMSO concentration and promptly dilute into buffered media to minimize organic solvent content.
• Miniaturize assays (384/1536‑well) to reduce total solvent and compound consumption.
• Aqueous delivery vehicles: Consider cyclodextrin inclusion complexes or lipid carriers if compatible with the biology, enabling reduced DMSO.
• Waste minimization: Segregate halogenated vs non‑halogenated waste; consolidate DMSO-containing waste streams for appropriate disposal.

Solvent comparison for preparing stocks (general)

• DMSO (benchmark): High solvency; miscible with water; good chemical stability; occupational exposure manageable with PPE.
• Ethanol: Renewable feedstock; lower toxicity; but lower solvency and volatility can complicate dosing precision.
• PEG‑400 or aqueous buffers (acidified): Can enhance solubility for basic salts; verify cell compatibility and viscosity effects.

Trade-offs

• Switching away from DMSO can reduce environmental impact but may compromise solubility, dose linearity, or assay performance. Any substitution should be validated by recovery of expected ROCK-pathway pharmacology and acceptable cell health at vehicle levels.

Note: No direct “green substitute molecule” exists for H‑1152’s biological activity; selection is driven by target pharmacology.

Pharmaceutical Uses

Scope note: For research use only. No medical or clinical claims are made.

Research and development context (general)

• Reference standard: H‑1152 is frequently used as a reference/positive control inhibitor of ROCK1/ROCK2 in biochemical and cellular assays, aiding target validation and SAR benchmarking.
• Screening tool: Utilized in high‑content and high‑throughput screening campaigns to calibrate assay windows related to cytoskeletal remodeling, contractility, and barrier function.
• Preformulation learnings: Solubility and stability assessments in DMSO and aqueous buffers provide data relevant to early discovery, though not intended for therapeutic formulation.

Excipient/formulation roles

• None. H‑1152 is an active research compound and not used as an excipient.

Regulatory/pharmacopeia

• No compendial monograph is associated with this research chemical. It is not an approved drug substance.

Manufacturing and handling notes

• For analytical development, establish qualified methods (HPLC/UPLC, LC–MS) for identity/purity and assess counterion/hydration if provided as a salt.
• Maintain tight control of storage conditions (2–8°C per item data) and moisture/light exposure to preserve integrity for reproducible research outcomes.

Physical Properties

Item-specific specifications

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight (MW): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting Point / Boiling Point / Density / Refractive Index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility (spec): Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance (typical for H‑1152 and related ROCK inhibitors; not item-specific)

• H‑1152 is commonly supplied as a solid (often a salt) with good solubility in polar aprotic organic solvents (e.g., DMSO) and variable aqueous solubility depending on salt form and pH.
• Stock solutions for bioassays are typically prepared at 10–50 mM in anhydrous DMSO, then diluted into aqueous media immediately before use to reach micromolar working concentrations.
• Aqueous solubility generally increases in acidic buffers if the scaffold bears a basic nitrogen (literature, qualitative). Pre-warm media and add the DMSO stock slowly with mixing to minimize precipitation.

pKa/logP (literature, qualitative)

• Kinase-directed heteroaryl amide/sulfonamide scaffolds often exhibit one basic center (allowing salt formation) with moderate lipophilicity suitable for cell permeability. Specific pKa/logP values for this item are not provided; consult primary literature or the product CoA for definitive data.

Quality and Grades

Item-specific grade/purity

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

What grade typically implies (general guidance)

• Bioactive screening compounds are commonly qualified by ≥95% purity by HPLC/UPLC, supported by NMR and HRMS. Low levels of residual solvents, water, and counterion stoichiometry are often reported on the CoA.
• For kinase inhibitor tools, consistent salt form and polymorph are important for reproducibility (solubility, potency). The CoA typically states salt identity (e.g., HCl, mesylate) and hydration state if applicable.

Analytical verification (recommended practice)

• Verify identity and purity by orthogonal methods:
  • HPLC/UPLC purity and UV profile across 200–400 nm.
  • 1H/13C NMR in appropriate deuterated solvent (DMSO‑d6 or CD3OD often suitable for polar salts).
  • HRMS for molecular ion/adducts; elemental analysis where relevant.
• For assay development, qualify a working lot by IC50/biochemical potency against the intended target panel.

Batch-to-batch consistency

• Record lot numbers and retain aliquots for cross-comparison.
• If switching salt forms or suppliers, re-establish solubility and potency baselines before large screens.

Note: Where exact specifications are critical (purity thresholds, residual solvents, counterion content), consult the item’s CoA/Spec Sheet for definitive values.

Reaction and Applications

Scope note: H‑1152 is a bioactive small molecule used as a research tool compound; it is not typically employed as a synthetic reagent or catalyst. Accordingly, classical synthetic “reaction applications” (e.g., Grignard, cross-coupling) are not the primary use case.

Research applications (literature, non-clinical)

• Potent inhibitor of Rho‑associated kinases ROCK1 and ROCK2 used to interrogate RhoA/ROCK signaling.
• Employed to modulate actomyosin contractility, stress fiber formation, focal adhesion dynamics, and cell motility in diverse cell types.
• Utilized in studies of smooth muscle contraction/relaxation, endothelial barrier function, and neurite outgrowth.
• Frequently included as a positive control/reference compound in kinase panels and phenotypic screens probing cytoskeletal remodeling.

Practical tips (general)

• Prepare concentrated DMSO stocks (e.g., 10–50 mM), aliquot, and minimize freeze–thaw. Filter sterilize working dilutions (0.22 µm) when used in cell culture.
• Confirm the final DMSO concentration is compatible with the biological system (commonly ≤0.1–0.5% v/v).
• Validate pathway engagement via downstream readouts (e.g., decreased p‑MYL/MLC phosphorylation or reduced LIMK/MLCP signaling), using appropriate controls.

Note: For any use in chemical synthesis (e.g., as a reference standard), no general reaction scope is recognized; consult chemical literature if employing as a building block, which is uncommon.

Reaction Conditions

Not typically applicable. H‑1152 is not used as a reagent or catalyst in preparative organic synthesis; there are no standard synthetic “reaction conditions” associated with this product.

Assay preparation conditions (general, literature)

• Stock solutions: Commonly 10–50 mM in anhydrous DMSO; store aliquots to avoid repeated freeze–thaw.
• Working concentrations: Frequently sub‑ to low‑micromolar in cells (e.g., 0.1–10 µM), titrated to minimize off‑target effects while achieving ROCK pathway modulation. Optimize per cell type and endpoint.
• Incubation: Acute exposure (minutes–hours) can elicit cytoskeletal changes; longer exposures (up to 24–72 h) are used in some models. Verify compound and cell stability over the exposure period.
• Controls: Include vehicle controls at matching DMSO levels and, when possible, orthogonal pathway controls.

Environmental/compatibility notes

• Maintain final DMSO ≤0.1–0.5% v/v in sensitive cell systems. Filter sterilize working solutions where sterility is required.

All parameters above are general literature practices and are not item-specific specifications. Consult the product CoA and SDS, and perform pilot titrations to establish conditions suitable for your assay.

Safety and Handling

Authoritative safety for this product should be obtained from the SDS. The following points provide general laboratory guidance.

Item-specific hazard data

• Signal Word: Not specified for this item; refer to SDS.
• H-Statements: Not specified for this item; refer to SDS.
• GHS Classification/Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice)

• Handle in a well-ventilated fume hood. Avoid inhalation, ingestion, and contact with skin or eyes.
• Wear appropriate PPE: lab coat, nitrile gloves, and safety glasses. Upgrade to splash goggles and face protection if risk of splashing/aerosol.
• Use dust control measures if handling as a powder. Avoid generating aerosols during weighing or sonication.
• Many bioactive small molecules can be harmful if swallowed or absorbed; avoid skin contact and wash thoroughly after handling.

First-aid overview (consult SDS and institutional protocols)

• Eye/skin contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical advice.
• Inhalation: Move to fresh air; monitor breathing; seek medical attention.
• Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.

Storage incompatibilities and stability (general)

• Store tightly closed, desiccated, and protected from light to minimize degradation. Avoid strong oxidizers and extremes of pH unless stability is documented.
• This item is specified to be stored at 2–8°C and shipped on wet ice (see Storage tab). Allow to equilibrate to room temperature in a desiccator before opening to prevent condensation.

Solvent Selection

Use-case focus: dissolution of a bioactive small molecule for in vitro/in cellulo assays.

General/literature guidance (not item-specific)

• Primary solvent for stocks: Anhydrous DMSO is the standard due to high solvating power for heteroaryl kinase inhibitors and compatibility with biological assays at ≤0.1–0.5% v/v DMSO.
• Aqueous media: After preparing a concentrated DMSO stock (e.g., 10–50 mM), dilute into buffer or culture medium with vigorous mixing. Pre-warm to 25–37°C to reduce precipitation.
• pH considerations: If the scaffold is basic, slight acidification (e.g., 0.1% HCl) can enhance aqueous solubility; if amphoteric, buffer capacity should prevent pH drift upon addition.
• Alternative co‑solvents: Ethanol or DMF may dissolve some lots but are generally less preferred for cell work; confirm biocompatibility.
• Surfactants: For difficult cases, 0.01–0.05% non-ionic surfactant (e.g., Pluronic F‑127) can help maintain dispersion in phenotypic assays; validate for your biology.

Polarity/miscibility context

• DMSO is fully miscible with water and common biological buffers, enabling serial dilutions with controlled final DMSO percentages.

Quick comparison (general)

• DMSO: Highest solvency; widely accepted in screening.
• DMF: Strong solvency; greater toxicity/handling concerns.
• Ethanol: Moderate solvency; volatility and precipitation on dilution can occur.

Always confirm the exact solubility and stability for this item/lot from the CoA or by small-scale tests.

Storage and Reconstitution

Item-specific directions (from Product Data)

• Storage Conditions: Store at 2–8°C.
• Shipped In: Wet ice.

General good practice for this class of compounds (not item-specific)

• Keep container tightly closed in a dry, desiccated environment, protected from light. Allow to reach room temperature in a desiccator before opening to prevent moisture condensation.
• If provided as a solid, prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM). Aliquot into single-use vials to avoid repeated freeze–thaw. Clearly label concentration, date, and lot.
• Short-term storage of DMSO stocks at −20°C or −80°C is common practice; avoid frost-free freezers that cycle temperatures. Thaw on ice and mix thoroughly before use.
• For aqueous working solutions, prepare fresh on the day of use where possible. Discard if precipitation, color change, or reduced activity is observed.

Stability and specifications

• Specific stability data (e.g., shelf life, degradation pathways, hygroscopicity) are not provided for this item; consult the CoA and SDS for definitive guidance.

Research use notice

• For research use only. Not for human or veterinary use.

Structure and Identity

Brief overview: This product is listed as the ROCK-pathway inhibitor H‑1152, a bioactive small molecule commonly used in cell signaling research and phenotypic screening.

Item-specific identifiers (from Product Data)

• SKU: H125533
• Product Name: H‑1152
• CAS: 451462-58-1
• PubChem CID: 448043
• InChIKey: 16514 (as provided)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general literature context; not item-specific)

• H‑1152 is widely cited as a small‑molecule inhibitor of Rho‑associated coiled‑coil containing kinases (ROCK1/ROCK2).
• Literature reports indicate an aromatic heterocycle–containing scaffold related to the fasudil chemotype, but the exact salt/formulation varies by supplier; the precise structure/form for this specific item is not provided here. Always verify with the item’s CoA.

2D structural description (general/literature)

• Typical depictions show a polycyclic/heteroaryl core bearing a basic site (capable of forming salts) and amide/sulfonamide motifs common to kinase-directed chemotypes. The specific stereochemistry or counterion for this catalog item is not specified.

Synthetic Utility

This product is intended as a bioactive tool compound (ROCK inhibitor) rather than as a synthetic building block. Consequently, it sees little to no use as a reagent in organic synthesis.

General comments (if used in analytical/reference chemistry)

• H‑1152 can serve as a reference standard in analytical method development (e.g., LC–MS retention time, fragmentation pattern). Derivatization is typically unnecessary; direct detection under ESI(+) is common for basic heteroaryl compounds.

If repurposed in synthesis (uncommon)

• Without item-specific structural details, no reliable guidance on functional group interconversions can be offered. Literature analogs in the ROCK inhibitor class may contain amide/sulfonamide and heteroaryl nitrogens that are sensitive to strong bases and electrophiles and can display salt-form dependent solubility.

Recommendation

• If a synthetic application is contemplated, obtain the exact structure and salt form from the CoA and consult primary literature on ROCK inhibitor scaffolds. Otherwise, treat H‑1152 strictly as a research bioactive and not a synthetic intermediate.

Target Specificity

Item-specific target data were not provided for this product. The following statements reflect literature context and should be confirmed experimentally for your system.

Literature perspective (not item-specific)

• H‑1152 is broadly cited as a potent inhibitor of Rho‑associated coiled‑coil containing kinases ROCK1 and ROCK2.
• Relative to first‑generation inhibitors, H‑1152 is frequently reported to exhibit high potency toward ROCK with reduced activity on many unrelated kinases at matched concentrations; nonetheless, off‑target effects may arise at higher doses.
• Selectivity can vary with assay format (biochemical vs cellular), ATP concentration, and protein construct. Comprehensive kinase panel profiling is recommended for definitive selectivity maps in your context.

Item-specific tested targets, Ki/IC50 values, or panel data

• Not specified for this item; refer to CoA/Spec Sheet or vendor technical notes if available.

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 451462-58-1, the molecular formula is C16H21N3O2S, and the molecular weight is 319.42 g/mol. InChIKey AWDORCFLUJZUQS-ZDUSSCGKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.