HA-1004 - Moligand™, ≥97% , CAS No.91742-10-8

CAS: 91742-10-8 Cat. No.: H331174 Formule: C₁₂H₁₅N₅O₂S Poids moléculaire: 293.35

QUALITÉ & PURETÉ Moligand™, ≥97%

Synonyms

HA 1004 | HA1004 | ha-1004 | N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide | HT 1004 | KBio2_005589 | n-(2-carbamimidamidoethyl)isoquinoline-5-sulfonamide | KBioGR_000453 | H-1004 | N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide | N-(2-gu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

HA-1004 has been shown to act as a potent inhibitor of PKA (cyclic AMP-dependent protein kinase), cGKI (cyclic GMP-dependent protein kinase), PKC, and MYLK at the intracellular or submembranal level. It has also been shown to act as calcium channel protein inhibitor and vasodilator, relaxing vascular smooth muscle.

Spécifications

Synonymes

HA 1004 | HA1004 | ha-1004 | N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide | HT 1004 | KBio2_005589 | n-(2-carbamimidamidoethyl)isoquinoline-5-sulfonamide | KBioGR_000453 | H-1004 | N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide | N-(2-gu

Spécifications et pureté

Moligand™, ≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥97%

Propriétés du produit

Ki Data

protein kinase A: Ki= 2.3 μM; CaM kinase II: Ki= 13 μM; myosin light chain kinase: Ki= 150 μM; protein kinase C: Ki= 40 μM; protein kinase G: Ki= 1.3 μM

Noms et identifiants

Sourires canoniques

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N

IUPAC Name

2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine

InChIKey

MZNDNBFMSVMUCX-UHFFFAOYSA-N

INCHI

1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)

Isomères SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N

WGK Allemagne

3

Poids moléculaire

293.35

Reaxy-Rn

25765847

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25765847&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Organosulfonamides Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Pyridine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Cibles associées (humaines)

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

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

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

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

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

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

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

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

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

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

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

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

Discover Target: RPS6KA3

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

PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 Activities)

Discover Target: PLK4

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

STK16 Tchem Serine/threonine-protein kinase 16 (910 Activities)

Discover Target: STK16

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

STK10 Tchem Serine/threonine-protein kinase 10 (2119 Activities)

Discover Target: STK10

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

CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

Discover Target: CLK1

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

CLK2 Tchem Dual specificity protein kinase CLK2 (3942 Activities)

Discover Target: CLK2

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

CLK3 Tchem Dual specificity protein kinase CLK3 (2711 Activities)

Discover Target: CLK3

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

NEK2 Tchem Serine/threonine-protein kinase NEK2 (3514 Activities)

Discover Target: NEK2

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

CDK16 Tchem Serine/threonine-protein kinase PCTAIRE-1 (829 Activities)

Discover Target: CDK16

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

STK4 Tchem Serine/threonine-protein kinase MST1 (2643 Activities)

Discover Target: STK4

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

CAMK1D Tchem CaM kinase I delta (2141 Activities)

Discover Target: CAMK1D

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

CAMK1G Tchem CaM kinase I gamma (570 Activities)

Discover Target: CAMK1G

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

CAMKK2 Tchem CaM-kinase kinase beta (1281 Activities)

Discover Target: CAMKK2

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

MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (1965 Activities)

Discover Target: MAP3K5

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

SLK Tchem Serine/threonine-protein kinase 2 (1640 Activities)

Discover Target: SLK

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

NEK6 Tchem Serine/threonine-protein kinase NEK6 (1986 Activities)

Discover Target: NEK6

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

PAK6 Tchem Serine/threonine-protein kinase PAK6 (1915 Activities)

Discover Target: PAK6

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

PIM2 Tchem Serine/threonine-protein kinase PIM2 (5873 Activities)

Discover Target: PIM2

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

PAK5 Tchem Serine/threonine-protein kinase PAK7 (1760 Activities)

Discover Target: PAK5

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

STK17A Tchem Serine/threonine-protein kinase 17A (1791 Activities)

Discover Target: STK17A

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

TNIK Tchem TRAF2- and NCK-interacting kinase (1174 Activities)

Discover Target: TNIK

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

PAK4 Tchem Serine/threonine-protein kinase PAK 4 (3212 Activities)

Discover Target: PAK4

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

PBK Tchem PDZ-binding kinase (995 Activities)

Discover Target: PBK

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

PIM3 Tchem Serine/threonine-protein kinase PIM3 (4133 Activities)

Discover Target: PIM3

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

DMPK Tchem Myotonin-protein kinase (927 Activities)

Discover Target: DMPK

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

CSNK1G3 Tchem Casein kinase I isoform gamma-3 (2408 Activities)

Discover Target: CSNK1G3

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

MAPK6 Tchem Mitogen-activated protein kinase 6 (562 Activities)

Discover Target: MAPK6

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

Cibles associées (non humaines)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Pfmrk Protein kinase Pfmrk (149 Activities)

Discover Target: Pfmrk

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (40 mg/ml), DMSO, and ethanol (10 mg/ml).
• Indice de réfraction: n20D1.69
• Point d'ébullition (°C): 573.9° C at 760 mmHg
• Point de fusion (°C): 233-234° C
• Poids moléculaire: 293.350 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 293.095 Da
• Monoisotopic Mass: 293.095 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 441.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Per the instructions, only manufacturer-tested/validated protocols should be listed, and none are provided for this item.

• Tested applications: Not specified for this item.
• Recommended working concentrations/dilutions: Not specified for this item.
• Positive/negative controls: Not specified for this item.

General guidance (non-item-specific, for planning only):

• Prepare a concentrated DMSO stock; perform a short solubility/precipitation check upon dilution into your assay buffer or cell culture medium.
• Establish a concentration–response curve and replicate across independent days to confirm robustness.
• Include vehicle controls matched for DMSO content and appropriate orthogonal assays to mitigate readout-specific artifacts.

For validated, item-specific protocols, consult the CoA/Spec Sheet or contact technical support.

Biological Roles

Context (literature, not product-verified target data):

• HA-1004 is described in the literature as an isoquinolinesulfonamide-class protein kinase inhibitor used to interrogate phosphorylation-dependent signaling. Compounds in this class have been used to study cyclic nucleotide–dependent kinases and related serine/threonine kinases in biochemical and cellular systems.

Use-cases in research:

• Dissecting pathways where modulation of kinase activity alters downstream transcription, cytoskeletal dynamics, or metabolic regulation.
• Serving as a control tool in kinase assay development, including evaluation of ATP-competitive inhibition and analysis of apparent Ki/IC50 under varying ATP/substrate conditions.
• Supporting target validation via rescue experiments, orthogonal assays, and time-resolved dosing to parse primary from secondary effects.

Best practices:

• Verify potency/selectivity with conditions that mirror your biological matrix (cell type, ATP concentrations, cofactors).
• Employ orthogonal readouts (e.g., phospho-specific immunoblotting, targeted proteomics) to confirm on-pathway effects.
• Incorporate proper negative controls (vehicle, inactive analogs if available) and positive controls (benchmark inhibitors) to contextualize results.

Important limitations:

• Selectivity profiles for kinase inhibitors are assay- and context-dependent; apparent target specificity may vary with ATP concentration and protein isoform.
• No therapeutic/clinical use is implied; this item is for research use only (per Product Data). Refer to primary literature and your SDS/CoA for authoritative details.

Buffer Applications

HA-1004 is not a classical buffering agent. However, correct preparation of working solutions in biological buffers is critical for reproducible assay performance.

General laboratory guidance (non-item-specific):

• Stock solutions: commonly prepared in anhydrous DMSO. Typical lab practice is 10–50 mM stocks, then dilute into assay buffers immediately before use. Confirm maximum solubility for your lot.
• Working buffers: phosphate-buffered saline (PBS), Tris-buffered saline (TBS), HEPES, or assay-specific kinase buffers are often used. Maintain consistent ionic strength and pH, as kinase activity is pH- and Mg2+/Mn2+-dependent.
• Final organic cosolvent: keep DMSO at a constant low percentage across all wells/conditions (e.g., ≤0.1–0.5% v/v) to avoid solvent artifacts. Validate tolerance in your system.
• Order of addition: add compound last to minimize precipitation; gentle mixing avoids localized supersaturation.
• Protein binding considerations: include BSA only if validated; serum proteins can alter free inhibitor fraction.

Quality checks:

• Visual inspection for turbidity/precipitation upon dilution; if observed, reduce concentration or increase surfactant-free cosolvent within tolerated limits.
• Pre-equilibrate compound–enzyme mixtures when determining kinetic parameters to reduce time-dependent bias.

Item-specific buffer recipes or pH ranges: Not specified for this item; refer to your assay SOPs and literature precedents for kinase assays.

Green Alternatives

As a bioactive small-molecule research tool rather than a process solvent or bulk reagent, “green alternative” selection is generally not applicable in the typical use of HA-1004. Environmental impact is dominated by small-scale DMSO stock preparation and aqueous assay dilutions.

Practical sustainability considerations (general):

• Minimize DMSO waste by preparing concentrated master stocks and aliquoting to reduce discard due to freeze–thaw.
• Use micro-scale assay formats (96-/384-well) to reduce solvent and consumables.
• Consolidate inert-atmosphere and cold-chain shipments when possible to reduce logistics footprint.

If large-scale screening or manufacturing-adjacent use is contemplated (uncommon for this compound type), consider:

• Solvent recovery of DMSO and ethanol where facility infrastructure exists.
• Documenting degradation profiles to extend solution shelf-life and reduce remakes.

There are no direct “green replacement compounds” for HA-1004, since its selection is driven by target engagement in biochemical systems rather than by process chemistry constraints.

Pharmaceutical Uses

• This product is supplied strictly for research use only (per Product Data). It is not intended for human or veterinary use, diagnostic procedures, or as a drug substance.

Formulation/excipient context:

• HA-1004 is a bioactive small molecule used as a laboratory tool compound; it is not an excipient and has no pharmacopeial monograph known to be applicable for formulation purposes in this catalog context.

Process/CMC relevance (general notes for researchers):

• If using in preclinical research, characterize salt form, polymorph, and residual solvents via CoA/analytical methods—these impact solubility and stability but are Not specified for this item; refer to CoA/Spec Sheet.
• Document solution stability in intended vehicles (e.g., DMSO, buffered saline) and perform forced-degradation screens if long-term storage of solutions is planned.

Compliance reminders:

• No GMP claims are made. Moligand™ denotes a research-grade ligand standard suitable for discovery and mechanism-of-action studies, not for clinical manufacturing.
• For any translational activities, source appropriate quality grades and supporting documentation; this listing does not provide clinical or regulatory suitability.

Physical Properties

Item-specific physicochemical specifications (this product):

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Additional specs (melting point, solubility limits, UV cutoff, water/peroxide/metal content): Not specified for this item; refer to CoA/Spec Sheet.

General literature/context (non-item-specific; verify for your use):

• Physical state: isoquinolinesulfonamide kinase inhibitors are commonly supplied as off-white to light-colored crystalline solids or powders.
• Solubility behavior: frequently soluble in polar aprotic solvents (e.g., DMSO) to prepare concentrated stocks; aqueous solubility may be limited without acidification or co-solvent. Always confirm with actual lot data.
• Ionization: presence of basic functionalities in the side chain can increase solubility in acidic aqueous media (literature observation for this class).

Practical considerations:

• Prepare a small trial stock (e.g., in anhydrous DMSO) to determine solubility and clarity; record concentration by gravimetry or quantitative NMR for accuracy.
• Filter sterilize (0.22 µm PTFE) if preparing for cell-based assays.
• Protect from prolonged light and moisture; many kinase tool compounds are photosensitive to some degree.

Disclaimer: Where exact numerical values are required (mp, logP, pKa, density, refractive index), consult the CoA/SDS or primary literature for HA-1004; do not substitute literature estimates for validation-critical work.

Quality and Grades

• Grade/Purity (item-specific): Moligand™.

What Moligand™ signifies (program-level description):

• Moligand™ designates a bioactive small-molecule ligand grade suitable for chemical biology, target engagement, and screening workflows. Emphasis is placed on identity confirmation and impurity control compatible with research-grade biochemical and cell-based assays.

Typical elements of a Moligand™ offering (general description; verify on CoA for this item):

• Identity verification by orthogonal methods (e.g., HPLC/UPLC, MS, and 1H NMR).
• Purity reported by area % on a specified chromatographic method suitable for bioassay use.
• Trace stabilizers or form (salt/base) disclosure if applicable. For this catalog entry, stabilizers, salt form, and exact purity threshold are Not specified for this item; refer to CoA/Spec Sheet.

Implications for experimental use:

• Expect low non-volatile residues and minimal chromatographic background suitable for enzymology and target-binding assays.
• If using for quantitative biophysics (ITC, SPR) or in vivo models, confirm residual solvent profile, water content, and counterion content on the lot-specific CoA.

Documentation and verification:

• For regulatory or GLP-like contexts, request the batch CoA, analytical method summaries, and, if needed, impurity profiles.
• If UV transparency or metal content is critical (e.g., for photochemical assays or metalloenzyme studies), this information is Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

This product is primarily used as a bioactive research ligand rather than as a synthetic reagent. No manufacturer reaction-use notes were provided for this SKU.

Research applications (general, literature-based for HA-1004-class inhibitors):

• Tool compound in kinase biology to probe phosphorylation-dependent signaling pathways in cell lysates and living cells.
• Reference inhibitor in enzymology assays benchmarking serine/threonine kinases.
• Control molecule in target-validation studies, chemical genetics, and assay development.

Good-practice notes for biological applications:

• Validate concentration-response curves (e.g., 8–12 points, half-log spacing) and determine apparent potency under your assay conditions.
• Run selectivity counterscreens against off-targets relevant to your biology of interest.
• Confirm compound integrity by LC–MS before critical studies; bioactive small molecules can degrade under repeated freeze–thaw or light exposure.

Not typically applicable for this item:

• Classical synthetic transformations (e.g., cross-coupling, Grignard, oxidations) are not common use-cases for HA-1004. For building-block chemistry, see alternative reagents in our catalog better suited to preparative synthesis.

Reaction Conditions

This section is generally not applicable to HA-1004 as it is used as a bioactive ligand, not as a reagent in chemical transformations.

For researchers conducting biochemical assays (alternative relevance):

• Assay media: kinase assay buffers typically contain Tris/HEPES, Mg2+/Mn2+, ATP, DTT, and substrate peptides/proteins; optimize pH (often 7.0–7.5) and ATP concentrations to reflect physiological or mechanistic needs.
• Incubation: pre-incubate inhibitor with enzyme to reach equilibrium before initiating reactions with ATP/substrate; temperature commonly room temperature to 37°C depending on enzyme stability.
• Readouts: ADP production (coupled assays), radiometric phosphate transfer, or phospho-specific antibody detection are common; validate linearity and dynamic range.

Item-specific chemical reaction conditions (solvent, temperature, catalysts, yields): Not applicable to this product.

Safety and Handling

Authoritative safety information must be obtained from the product SDS. The following summarizes general good practice for small-molecule bioactive kinase inhibitors and highlights product-data specifics.

Item-specific safety data provided:

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

General precautions (good laboratory practice):

• Engineering controls: handle in a chemical fume hood; avoid aerosol generation, especially for powders.
• PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Change gloves regularly and avoid skin contact.
• Avoid ingestion/inhalation; bioactive small molecules may have potent cellular effects at low concentrations.
• Hygiene: wash hands after handling; avoid contamination of shared instruments.

Storage/incompatibilities:

• Storage (item-specific): Store at −20°C (per Product Data). Keep tightly closed in original container; protect from moisture and light.
• Incompatibilities: generally avoid strong oxidizers and strong acids/bases unless required for controlled dissolution; confirm with SDS.

First-aid overview (consult SDS for full guidance):

• Skin/eye contact: rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice.
• Inhalation: move to fresh air; seek medical attention if symptoms occur.
• Ingestion: rinse mouth; do not induce vomiting; seek medical attention.

Waste disposal:

• Collect solid and liquid waste as hazardous chemical waste; do not dispose to drain. Follow institutional and local regulations.

Solvent Selection

Purpose-driven solvent choice for HA-1004 focuses on preparing concentrated, stable stock solutions for biochemical and cell-based assays.

Item-specific solubility parameters: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for isoquinolinesulfonamide kinase inhibitors (literature-based practice):

• Primary stock solvent: anhydrous DMSO is typically preferred due to high solvating power and compatibility with most bioassays.
• Secondary options: DMF or ethanol can dissolve some lots, but assay and cell-compatibility must be validated.
• Aqueous work: dilute DMSO stocks into buffered saline or culture medium immediately before use; final DMSO usually ≤0.1–0.5% v/v for cellular assays (optimize per cell line/assay).

Practical tips:

• Warm (room temperature) and vortex/sonicate to aid dissolution; avoid prolonged heating.
• If aqueous solubility is required, consider slight acidification (e.g., dilute HCl) only if chemically compatible; verify stability and activity.
• Filter sterilize through 0.22 µm PTFE or PVDF if sterility is required; avoid cellulose esters with strong DMSO stocks.

Comparison snapshot (general):

• DMSO: highest success rate for concentrated stocks; biologically tolerated at low percentages.
• Ethanol: useful for quick screens; may precipitate on aqueous dilution.
• Aqueous buffers: convenient for immediate use if solubility allows; limited shelf-life and potential for precipitation.

Always verify solubility/stability and avoid precipitation upon dilution by preparing small test dilutions before scaling.

Storage and Reconstitution

Item-specific conditions:

• Storage Conditions: Store at −20°C (per Product Data).
• Shipped In: Ice chest + Ice pads (per Product Data).

General best practices for small-molecule bioactives (non-item-specific guidance):

• Protect from moisture and light; keep container tightly closed. Consider desiccation in a sealed pouch with desiccant if frequently accessed.
• Reconstitution: prepare concentrated stocks in anhydrous DMSO. If aqueous stocks are required, verify pH compatibility and stability; use freshly prepared solutions.
• Aliquoting: divide DMSO stocks into single-use aliquots (e.g., 10–50 µL) to avoid repeated freeze–thaw cycles.
• Storage of solutions: store DMSO stocks at −20°C to −80°C in inert, light-protective vials. Avoid frost-free freezers that cycle temperatures.
• Handling: equilibrate frozen stocks to room temperature before opening to prevent moisture ingress; promptly recap after use.

Not specified for this item; refer to CoA/Spec Sheet:

• Exact solubility limits in DMSO/water
• Stability window at room temperature or 4°C in solution
• Salt form and presence/absence of stabilizers

Always confirm integrity by analytical QC (e.g., LC–MS) prior to critical experiments, especially after extended storage.

Structure and Identity

Brief overview: HA-1004 is widely referenced in the literature as a small-molecule isoquinolinesulfonamide derivative used as a broad-spectrum protein kinase inhibitor. Item-specific identifiers included below are limited to what is provided.

• SKU: H331174
• Product Name: HA-1004
• CAS: 91742-10-8 (item-specific)
• PubChem CID: 3546 (item-specific)
• InChIKey: 232632 (as provided; note: truncated/atypical format as given in Product Data)
• 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 description, not item-specific specs):

• Core scaffold: isoquinoline ring bearing a sulfonamide substituent (isoquinolinesulfonamide family).
• Functional groups typically reported for HA-series inhibitors: aromatic heterocycle (isoquinoline), sulfonamide (–SO2–NH–), and a basic side chain that imparts kinase-binding capacity.
• 2D structure in words: fused benzene–pyridine ring (isoquinoline) with a sulfonyl group attached to the 5-position, linked to a nitrogen-containing side chain capable of H-bonding/ionic interactions with kinase active sites.

Notes:

• Exact stereochemistry is generally not applicable (structures are typically achiral for this class), but confirm per CoA.
• For definitive structural identifiers (complete InChIKey/SMILES), consult the Certificate of Analysis or specification sheet for this specific lot.

Synthetic Utility

Not a primary use-case. HA-1004 is supplied as a bioactive research ligand rather than as a synthetic building block or reagent.

Context (general):

• The isoquinolinesulfonamide scaffold can, in principle, be modified for SAR studies; however, this product is offered as the finished ligand rather than a functionalized intermediate.
• It is not commonly employed as a catalyst, protecting group reagent, or coupling partner in preparative organic synthesis.

Recommendations:

• For synthetic derivatization or linker installation, consider starting from isoquinolinesulfonyl chloride or appropriately substituted isoquinoline precursors available elsewhere in the catalog.
• If conjugation is needed (e.g., for probe development), confirm the presence/position of modifiable handles in the specific HA-1004 structure and consider bespoke synthesis.

Item-specific reactivity data, functional group transformations, or named-reaction participation: Not applicable/Not specified for this item.

Target Specificity

Only product-data-sourced specificity information may be listed here. For this SKU, no target specificity or bioactivity panel data are provided in the Product Data.

• Target(s): Not specified for this item; refer to CoA/Spec Sheet or manufacturer’s bioactivity summary if available.
• Potency/selectivity values (IC50/Ki): Not specified for this item.
• Assay systems validated: Not specified for this item.

Note: Literature frequently discusses kinase-related activities for HA-1004-class compounds; however, those details are not item-verified here and should be confirmed independently for your lot and assay conditions.

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 91742-10-8, the molecular formula is C12H15N5O2S, and the molecular weight is 293.35 g/mol. InChIKey MZNDNBFMSVMUCX-UHFFFAOYSA-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.