CAY10572 - ≥98% , CAS No.942425-68-5

CAS: 942425-68-5 Cat. No.: C305017 Formula: C₁₂H₁₁N₃O·HCl Molecular Weight: 249.7

GRADE & PURITY ≥98%

Synonyms

PHA-767491xhydrochloride | Lupersol DNF | BS-18264 | PHA 767491 hydrochloride | SCHEMBL1424721 | 942425-68-5 (HCl) | CAY-10572 hydrochloride | EC-000.2430 | 2-pyridin-4-yl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one hydrochloride | 2-Pyridin-4-yl-1,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application：

PHA 767491 hydrochloride has been used to study its effect on estrogen-induced DNA damage. It has also been used in western blot analysis and to study the S9.6 nuclear signal in HeLa cells.

Specifications

Synonyms

PHA-767491xhydrochloride | Lupersol DNF | BS-18264 | PHA 767491 hydrochloride | SCHEMBL1424721 | 942425-68-5 (HCl) | CAY-10572 hydrochloride | EC-000.2430 | 2-pyridin-4-yl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one hydrochloride | 2-Pyridin-4-yl-1,

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

ATP-competitive cyclin-dependent kinase (cdk) inhibitor (reported IC50values are 0.034 - 0.75, 0.24 - 1.2, 0.25 - 1.1 and 0.46 - 1 μM for cdk9, cdk2, cdk1 and cdk5, respectively). Also inhibits mitogen-activated protein kinase-activated protein kinase-2 (

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

504766670

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766670

Canonical Smiles

C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3.Cl

IUPAC Name

2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

InChIKey

IMVNFURYBZMFDZ-UHFFFAOYSA-N

INCHI

1S/C12H11N3O.ClH/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12;/h1-2,4-5,7,15H,3,6H2,(H,14,16);1H

Isomeric SMILES

C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3.Cl

Alternate CAS

845538-12-7

Molecular Weight

249.7

Reaxy-Rn

12897977

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12897977&ln=

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: Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 24.97, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 24.97, Max Conc. mM: 100
• Molecular Weight: 249.690 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.067 Da
• Monoisotopic Mass: 249.067 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 275.000
• 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

XLogP3