SB 200646 hydrochloride - ≥96% , CAS No.143797-62-0

CAS: 143797-62-0 Cat. No.: S275901 Molecular Weight: 302.76 EC Number: 634-322-3 PubChem CID: 5311422

GRADE & PURITY ≥96%

Synonyms

SB 200646 hydrochloride | SB200646 | SB-200646 HCL | 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride | D80628 | HY-103129 | SR-01000597751-1 | AKOS024456555 | SCHEMBL2116886 | SR-01000597751 | DTXSID901017649 | SB-200646 hydrochloride | 1-(1-Methy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Store at room temperature.

explanation：

SB-200646A is an orally active, selective antagonist of 5-HT2B/2C over 5-HT2A receptor with pKi of 7.5, 6.9 and 5.2 for 5-HT2B, 5-HT2C and 5-HT2A, respectively. SB-200646A exerts anxiolytic and electrophysiological properties in vivo.

Specifications

Synonyms

SB 200646 hydrochloride | SB200646 | SB-200646 HCL | 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride | D80628 | HY-103129 | SR-01000597751-1 | AKOS024456555 | SCHEMBL2116886 | SR-01000597751 | DTXSID901017649 | SB-200646 hydrochloride | 1-(1-Methy

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Selective 5-HT 2C / 2B receptor antagonist. Prevents ethanol-induced, Ca 2+ -dependent miniature inhibitory postsynaptic currents. Shows anxiolytic effects in vivo. Orally active.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504763552
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763552
• Canonical Smiles: CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3.Cl
• IUPAC Name: 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea;hydrochloride
• InChIKey: IGRYPUQJEDJLHC-UHFFFAOYSA-N
• INCHI: 1S/C15H14N4O.ClH/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13;/h2-10H,1H3,(H2,17,18,20);1H
• Isomeric SMILES: CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3.Cl
• PubChem CID: 5311422
• Molecular Weight: 302.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles Pyridines and derivatives N-methylpyrroles Benzenoids Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - N-methylpyrrole - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Associated Targets(Human)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

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

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Sensitivity: Moisture sensitive
• Molecular Weight: 302.760 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 302.093 Da
• Monoisotopic Mass: 302.093 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 349.000
• 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: 2

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