ST-1006 - Moligand™ , Agonist of H 1 receptor;Agonist of H 2 receptor;Agonist of H 3 receptor;Agonist of H 4 receptor, CAS No.S613723, Agonist of H 1 receptor;Agonist of H 2 receptor;Agonist of H 3 receptor;Agonist of H 4 receptor

CAS: S613723 Cat. No.: S613723 PubChem CID: 45257132
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Storage
Room temperature
★
Size
USA
Germany (EU)*
Price
Qty
5mg
S613723-5mg
Made to order · 8–12 wks

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
S613723-25mg
Made to order · 8–12 wks
$1,511.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of H 1 receptor;Agonist of H 2 receptor;Agonist of H 3 receptor;Agonist of H 4 receptor
Names and Identifiers
Canonical Smiles
CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N
IUPAC Name
4-N-[(2,6-dichlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
InChIKey
ICAQZJCLBRKWBG-UHFFFAOYSA-N
INCHI
1S/C16H20Cl2N6/c1-23-5-7-24(8-6-23)15-9-14(21-16(19)22-15)20-10-11-12(17)3-2-4-13(11)18/h2-4,9H,5-8,10H2,1H3,(H3,19,20,21,22)
Isomeric SMILES
CN1CCN(CC1)C2=NC(=NC(=C2)NCC3=C(C=CC=C3Cl)Cl)N
PubChem CID
45257132

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-arylpiperazines
Alternative Parents Dichlorobenzenes  Dialkylarylamines  Benzylamines  Secondary alkylarylamines  N-methylpiperazines  Aminopyrimidines and derivatives  Imidolactams  Aryl chlorides  Heteroaromatic compounds  Trialkylamines  Azacyclic compounds  Primary amines  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-arylpiperazine - Benzylamine - 1,3-dichlorobenzene - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Pyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HRH4 Tchem Histamine H4 receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HRH3 Tclin Histamine H3 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HRH2 Tclin Histamine H2 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HRH1 Tclin Histamine H1 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH3 Tclin Histamine H3 receptor (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hrh4 Histamine H4 receptor (388 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight367.300 g/mol
XLogP33.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass366.113 Da
Monoisotopic Mass366.113 Da
Topological Polar Surface Area70.300 Ų
Heavy Atom Count24
Formal Charge0
Complexity383.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Application Protocols

No validated application protocols are provided for ST-1006 in the product data.

General protocol considerations for small-molecule screening:

  • Stock preparation: Prepare concentrated DMSO stock (e.g., 10–50 mM) when solubility allows; vortex and, if necessary, gently warm to aid dissolution. Filter if compatible and needed.
  • Assay setup: Standardize final solvent (e.g., 0.1–1% DMSO) across all wells/conditions. Include vehicle controls and positive/negative assay controls.
  • Serial dilutions: Use low-binding polypropylene plates/tubes; confirm dilution integrity gravimetrically or by absorbance when feasible.
  • Plate handling: Minimize edge effects by equilibrating plates to room temperature before reading; seal plates to prevent evaporation.
  • Data quality: Include technical/biological replicates; analyze for outliers and signal drift; confirm hits using orthogonal assays.

For any lot-specific recommendations or validated methods, refer to the CoA/Spec Sheet.

Biological Roles

Item-specific biological roles, targets, or pathways for ST-1006 are not provided in the product data.

  • Known targets/mechanisms: Not specified for this item; refer to CoA/Spec Sheet or internal project annotations.
  • Endogenous occurrence: Not specified; likely a synthetic small molecule used for research screening.
  • Biochemical usage notes (general):
    • In phenotypic or biochemical screening, confirm activity via dose–response curves across independent assay formats to mitigate artifacts.
    • Evaluate aggregation tendencies (e.g., with detergent or dynamic light scattering controls) and test counter-screens to identify nonspecific promiscuity.
    • Assess stability in assay buffers and in the presence of cofactors or metals as applicable; run time-course controls to ensure activity correlates with intact compound.

All uses are for research purposes only. No claims are made regarding therapeutic effects, pharmacology in humans/animals, or clinical applicability.

Buffer Applications

ST-1006 is a research small molecule and is not a buffering agent. No buffer system parameters (pKa values, buffering ranges, preparation recipes) are applicable.

Practical notes for assay buffers (general):

  • Maintain a consistent DMSO percentage across all wells/conditions to avoid solvent-driven effects on pH, protein stability, or signal.
  • Use well-characterized assay buffers (e.g., HEPES, PBS, Tris) with documented pH stability over the intended temperature/time window.
  • Filter-sterilize and degas as needed for sensitive biophysical measurements (ITC, SPR, DSF) to minimize bubbles and baseline drift.

Item-specific buffer roles: Not applicable for this product.

Green Alternatives

Because ST-1006 is a screening compound rather than a solvent or bulk reagent, “green alternatives” mainly concern solvent choices for stock solutions and assay dilutions.

Greener considerations (general guidance):

  • Prefer minimal DMSO percentages in assay media (e.g., ≤0.5–1% v/v) to reduce solvent load while maintaining solubility.
  • When feasible, use ethanol or isopropanol in small fractions as co-solvents instead of higher-toxicity aprotics (DMF/NMP), provided assay compatibility is demonstrated.
  • For preparative operations (if any), select greener chromatography eluents (e.g., heptane/ethyl acetate) in place of halogenated solvents where resolution permits.

Illustrative comparison (general; not item-specific):

  • DMSO vs DMF/NMP: DMSO typically offers lower toxicity and better environmental profile than DMF/NMP, though it may cause hygroscopic uptake and freezing at low temperatures.
  • Aqueous cosolvent systems: Small percentages of DMSO or ethanol in buffered saline can reduce organic solvent volumes and improve environmental footprint relative to neat organic media.

Note: Final solvent choice must be guided by the compound’s actual solubility, stability, and assay performance, which are not specified here. Validate greener options empirically.

Pharmaceutical Uses

This product is supplied strictly for research use only. No pharmacopeial status, excipient role, or clinical manufacturing use is provided or implied.

  • Formulation/Excipients: Not specified for this item; refer to CoA/Spec Sheet if any formulation details are provided for particular lots.
  • GMP status: Not applicable; this is not supplied as a GMP-grade material.
  • Typical discovery-stage context (general): Compounds like ST-1006 may be used for in vitro screening, early SAR studies, and mechanism exploration. Any progression beyond research requires comprehensive quality, safety, and regulatory evaluations not covered by this catalog listing.

No medical or clinical claims are made for ST-1006.

Physical Properties

Item-specific physicochemical properties are not provided in the product data for ST-1006.

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
  • Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
  • pKa: Not specified for this item; refer to CoA/Spec Sheet.
  • Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
  • UV/Vis characteristics or HPLC UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for library compounds (literature/practice-based):

  • In the absence of structure-specific data, many discovery labs initially attempt dissolution in anhydrous DMSO to create screening stocks (e.g., 10–50 mM), then dilute into assay buffers immediately before use to minimize precipitation.
  • If solubility challenges arise, co-solvent systems (DMSO with water or buffer; or alternative polar aprotic solvents such as DMF or NMP) may be explored using small-scale solubility screens. Always confirm chemical compatibility with your assay components.
  • For spectroscopic quantitation (e.g., UV), determine the compound’s absorbance empirically in the chosen solvent system to avoid reliance on generic extinction coefficients.
Quality & Grades
  • Grade/Purity: Moligand™ (as provided)
  • Purity percent, residual solvents, metal content, water content, and other analytical limits: Not specified for this item; refer to CoA/Spec Sheet.

About Moligand™ (general program note):

  • Moligand™ denotes a small-molecule library offering targeted to discovery research and ligand screening workflows. While lot-specific specifications can vary by compound, materials are intended for research-only applications such as primary screening, hit validation, and methods development.

What to expect and how to verify (best practices):

  • Identity and Purity Confirmation: Verify by LC/MS (or HRMS) and, where applicable, 1H/13C NMR. Confirm retention time matches the supplied CoA reference method.
  • Assay Interference: For screening use, implement counter-screens for PAINS/fluorescence quenchers and perform orthogonal readouts to detect assay artifacts.
  • Stock solution quality: If preparing DMSO stocks, use anhydrous, inhibitor-free DMSO and record concentration by gravimetry or validated spectroscopic methods.
  • Documentation: Use the CoA/Spec Sheet for any acceptance criteria and test methods that apply to your specific lot.

Note: In the absence of explicit item-level specifications, users should define fit-for-purpose quality criteria aligned with their assay sensitivity and data integrity requirements.

Reaction & Applications

This product is positioned as a small-molecule library compound (Moligand™ series) and is not primarily offered as a synthetic reagent. No reaction-class applications (e.g., cross-coupling, Grignard, oxidations/reductions) are specified for ST-1006.

  • Synthetic reaction usage: Not typically applicable. Without a defined structure or functional group set, no reliable reaction guidance can be provided for this item.
  • Discovery research usage (general): Suitable for assay development, primary/secondary screening, tool-compound exploration, and structure–activity relationship (SAR) campaigns after identity confirmation and solubility assessment.
  • Data integrity: Employ orthogonal assays to rule out nonspecific reactivity or assay interference (fluorescence quenching/auto-fluorescence, redox cycling, detergent-like behavior). Use detergent controls where appropriate in biochemical assays.

If your intent is chemical transformation of ST-1006, please consult the CoA and structure to determine functional-group compatibility, stability profile (acid/base/oxidative), and handling requirements before attempting derivatization.

Reaction Conditions

Reaction conditions are not applicable to ST-1006 as a cataloged screening compound without specified structure or intended transformations.

  • Typical solvents, catalysts, temperatures, and yields: Not specified for this item; refer to CoA/Spec Sheet and primary literature if a structure is identified.
  • Stability testing (general advice): If the compound will be exposed to assay or storage conditions that could induce chemical change (light, oxygen, reactive metals, extremes of pH), perform a small stability study and analyze by LC/MS over time.

If you plan to use ST-1006 in chemical reactions, first source the complete structural and analytical dossier and perform feasibility tests to establish compatible conditions.

Safety & Handling

Hazard information for ST-1006 is not specified in the provided data.

  • 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 laboratory safety guidance (defer to SDS for authoritative data):

  • Personal Protective Equipment (PPE): Use lab coat, safety glasses or chemical splash goggles, and appropriate chemically resistant gloves. Employ a certified fume hood for weighing/handling powders or volatile materials.
  • Avoid inhalation of dust/aerosols and skin/eye contact. Wash thoroughly after handling.
  • Incompatibilities: Unknown for this item. Until specified, segregate from strong oxidizers/reductants, strong acids/bases, and sources of ignition. Do not mix with unknown reagents without a risk assessment.
  • Spill response: For solids, avoid dust generation; cover and collect with inert absorbent; dispose according to institutional and regulatory requirements. For solutions, contain and absorb with inert material; ventilate area.
  • First aid (general): If inhaled—move to fresh air; seek medical attention if symptoms occur. Skin contact—wash with soap and water; remove contaminated clothing. Eye contact—rinse cautiously with water for several minutes; seek medical attention if irritation persists. Ingestion—rinse mouth; seek medical advice.
  • Waste disposal: Manage as laboratory chemical waste. Follow local regulations and institutional protocols.

Always consult the product’s Safety Data Sheet (SDS) for definitive hazard classifications and response measures.

Solvent Selection

Item-specific solubility and polarity parameters are not provided for ST-1006. The following guidance reflects common practices for small-molecule library compounds.

  • Primary stock solvent: DMSO is typically the first-line solvent for diverse screening compounds due to broad solvency and assay compatibility at low final percentages (e.g., ≤1% v/v in biochemical assays). Verify tolerance with your assay system.
  • Alternative solvents: If DMSO is unsuitable, consider DMF or NMP (higher solvency) with attention to cytotoxicity/background effects. For less polar compounds, co-solvents (EtOH, isopropanol, or minimal acetonitrile) can assist, followed by dilution into buffer.
  • Miscibility/compatibility: DMSO is miscible with water and many organic solvents, facilitating serial dilution into aqueous buffers. Always pre-warm and vortex to minimize precipitation.
  • Precipitation checks: After dilution into assay media, visually inspect for haze or particulates; perform centrifugation or filtration when compatible.
  • Polarity class and dielectric constant: Not specified for this item; refer to CoA/Spec Sheet.

Selection tips (practical):

  • Start with a small solubility screen (e.g., 1–10 mg/mL attempts in DMSO, with and without gentle heating). Record clear/unclear outcomes.
  • If UV/fluorescence readouts are used, evaluate solvent blank backgrounds and potential inner-filter effects.
  • For long-term plate storage, prefer high-purity, anhydrous DMSO and sealed, low-evaporation formats to maintain concentration fidelity.
Storage & Reconstitution
  • Storage Conditions (as provided): Room temperature.
  • Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library items (not item-specific specifications):

  • Protect from moisture and excessive light until use; store in a tightly closed container with desiccant if hygroscopicity is suspected. Avoid prolonged exposure to air if oxidation is a concern (unknown for this item).
  • Reconstitution: If solid, dissolve in high-purity, anhydrous DMSO to prepare a concentrated stock suitable for your assay. If already in solution upon receipt, verify concentration and solvent listed on the CoA.
  • Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw or evaporation cycles that can alter concentration and purity.
  • Stability: Not specified for this item; verify stability under intended storage (room temperature per listing) and working conditions by periodic LC/MS or HPLC checks.
  • Handling: Allow sealed containers/plates to equilibrate to room temperature before opening to minimize moisture condensation.

Research Use Note: For research use only.

Structure & Identity

Brief overview: ST-1006 (SKU S613723) is listed in our small-molecule/compound library category (Moligand™ series). Item-specific structural identifiers are limited in the provided data.

  • Product Name: ST-1006
  • SKU: S613723
  • CAS: S613723 (as provided)
  • PubChem CID: 45257132 (as provided)
  • InChIKey: 136997 (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 note):

  • The specific 2D/3D structure, functional groups, ring systems, and stereochemical elements are not provided for this catalog entry. Without a structure or formula, we cannot characterize electron-donating/withdrawing groups, heteroatoms, or potential tautomerism for ST-1006.

Identity confirmation (practical guidance):

  • For definitive identity, please consult the item’s Certificate of Analysis (CoA), which typically includes structure or verified reference identifiers, and match lot-level analytical data (e.g., LC/MS, HRMS, and/or NMR, where available).
  • If using third-party databases (e.g., PubChem), cross-validate the CID and synonym set against our SKU to ensure you are referencing the same substance/lot.
Synthetic Utility

ST-1006 is listed as a screening library molecule and is not positioned as a building block or reagent. Without structural information, we cannot provide guidance on functional-group transformations or named-reaction participation.

  • Building-block role: Not specified for this item; refer to CoA/Spec Sheet.
  • Protective-group strategies, coupling handles, or heteroatom-rich motifs: Not available due to absent structure.
  • If derivatization is intended (general guidance):
    • Obtain and review structure and analytical data (NMR, MS) to identify reactive handles.
    • Assess stability to acids/bases, redox conditions, and heat using micro-scale tests before planning scale-up.
    • Confirm purity and identity pre- and post-transformation with orthogonal methods to avoid propagating impurities into SAR series.

For routine organic synthesis needs, consider selecting dedicated building blocks with clearly defined functionalities and specifications.

Target Specificity

No target specificity, binding profile, or selectivity data are provided for ST-1006.

  • Antigen/epitope information: Not applicable (this is not an antibody/biologic).
  • Target(s) or pathway annotation: Not specified for this item; consult internal screening results or literature tied to the provided identifiers if available.

Guidance for users (general):

  • Validate target engagement using orthogonal assays (biochemical plus biophysical or cellular readouts), dose–response curves, and, where possible, chemical probes/controls.
  • Assess off-target liabilities through counter-screens and broad-panel profiling as appropriate for your study.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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