CAY10572 - ≥98% , CAS No.942425-68-5

CAS: 942425-68-5 Cat. No.: C305017 Peso molecular: 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

Descripción general

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

Sinónimos

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,

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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 (

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766670
• Sonrisas canónicas: 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
• Isómeros SMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3.Cl
• CAS alternativo: 845538-12-7
• Peso molecular: 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
    • Clase Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 24.97, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 24.97, Max Conc. mM: 100
• Peso molecular: 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