CP 93129 dihydrochloride - ≥98% , CAS No.879089-64-2

CAS: 879089-64-2 Cat. No.: C287389 Molecular Weight: 288.18 EC Number: 804-589-2 PubChem CID: 46927988

GRADE & PURITY ≥98%

Synonyms

SR-01000597935-1 | 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;dihydrochloride | CP 93129 DIHYDROCHLORIDE | SCHEMBL14127740 | J-005544 | 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrol[3,2-b]pyridin-5-onedihydrochlor

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

CP 93129 dihydrochloride is a potent 5HT1B receptor agonist. CP 93129 dihydrochloride has the potential for parkinson's disease research.

Specifications

Synonyms

SR-01000597935-1 | 3-(1, 2, 3, 6-tetrahydropyridin-4-yl)-1, 4-dihydropyrrolo[3, 2-b]pyridin-5-one;dihydrochloride | CP 93129 DIHYDROCHLORIDE | SCHEMBL14127740 | J-005544 | 1, 4-dihydro-3-(1, 2, 3, 6-tetrahydro-4-pyridinyl)-5H-pyrrol[3, 2-b]pyridin-5-onedihydrochlor

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent and highly selective 5-HT1Bagonist (Kivalues are 8.1, 1100, 1500, 2900 and 7200 nM for 5-HT1B, 5-HT1D, 5-HT1A, 5-HT1cand 5-HT2, respectively). Reduces food intake and decreases body weight in rats.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CNCC=C1C2=CNC3=C2NC(=O)C=C3.Cl.Cl
• IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;dihydrochloride
• InChIKey: FLVJHUZZKVJQNH-UHFFFAOYSA-N
• INCHI: 1S/C12H13N3O.2ClH/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8;;/h1-3,7,13-14H,4-6H2,(H,15,16);2*1H
• Isomeric SMILES: C1CNCC=C1C2=CNC3=C2NC(=O)C=C3.Cl.Cl
• PubChem CID: 46927988
• Molecular Weight: 288.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyridinones Substituted pyrroles Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridinone - Hydropyridine - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Lactam - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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)

CYP2C19 Tchem Cytochrome P450 2C19 (0 Activities)

Discover Target: CYP2C19

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

HTR1A Tclin 5-hydroxytryptamine receptor 1A (0 Activities)

Discover Target: HTR1A

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 28.82, Max Conc. mM: 100; Solvent:water, Max Conc. mg/mL: 28.82, Max Conc. mM: 100
• Sensitivity: light & Moisture sensitive
• Molecular Weight: 288.170 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 287.059 Da
• Monoisotopic Mass: 287.059 Da
• Topological Polar Surface Area: 56.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 361.000
• 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: 3

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