CPUY201112 , CAS No.1860793-58-3

CAS: 1860793-58-3 Cat. No.: C1418035 PubChem CID: 124220253

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CPUY201112 is a potent heat shock protein Hsp90 inhibitor with K d of 27 nM. CPUY201112 induces p53-mediated apoptosis in MCF-7 cells, resulting in cell cycle arrest, which can be used in cancer research.

Specifications

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

Names and Identifiers

• Canonical Smiles: CCOC1=NC=C2CN(CCC2=N1)C(=O)C3=C(C=C(C(=C3)C(C)C)O)O
• IUPAC Name: (2,4-dihydroxy-5-propan-2-ylphenyl)-(2-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
• InChIKey: BNTRGXQGSZZFCB-UHFFFAOYSA-N
• INCHI: 1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3
• Isomeric SMILES: CCOC1=NC=C2CN(CCC2=N1)C(=O)C3=C(C=C(C(=C3)C(C)C)O)O
• PubChem CID: 124220253
• MeSH Entry Terms: CPUY201112

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Salicylamides Phenylpropanes Cumenes Benzamides Resorcinols Benzoyl derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyrimidines and pyrimidine derivatives Pyridines and derivatives Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Salicylic acid or derivatives - Salicylamide - Pyridopyrimidine - Phenylpropane - Cumene - Benzoic acid or derivatives - Benzamide - Resorcinol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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