BSJ-04-132 - Moligand™ , Inhibitor of cyclin dependent kinase 4;Inhibitor of cyclin dependent kinase 6, CAS No.B608234, Inhibitor of cyclin dependent kinase 4;Inhibitor of cyclin dependent kinase 6

CAS: B608234 Cat. No.: B608234 PubChem CID: 139593562

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cyclin dependent kinase 4;Inhibitor of cyclin dependent kinase 6

Names and Identifiers

• Canonical Smiles: O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C
• IUPAC Name: 7-Cyclopentyl-2-[[5-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl]oxy]acetamido]butyl]piperazin-1-yl]pyridin-2-yl]amino]-N,N-dimethyl-7H-pyrrolo[2,3d]pyrimidine-6-carboxamide
• InChIKey: GWLSXEHHNOBFOI-UHFFFAOYSA-N
• INCHI: 1S/C42H49N11O7/c1-49(2)40(58)31-22-26-23-45-42(48-37(26)52(31)27-8-3-4-9-27)46-33-14-12-28(24-44-33)51-20-18-50(19-21-51)17-6-5-16-43-35(55)25-60-32-11-7-10-29-36(32)41(59)53(39(29)57)30-13-15-34(54)47-38(30)56/h7,10-12,14,22-24,27,30H,3-6,8-9,13,15-21,25H2,1-2H3,(H,43,55)(H,47,54,56)(H,44,45,46,48)
• PubChem CID: 139593562

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Phthalimides Alpha amino acids and derivatives Pyrrolo[2,3-d]pyrimidines Pyrimidinecarboxamides Isoindoles Pyrrole carboxamides Piperidinediones Dialkylarylamines 2-heteroaryl carboxamides N-alkylpiperazines Delta lactams Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers Substituted pyrroles N-substituted carboxylic acid imides Imidolactams Benzenoids Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Secondary carboxylic acid amides Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Pyridinylpiperazine - Phthalimide - Isoindolone - Alpha-amino acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Pyrimidinecarboxamide - Isoindole or derivatives - Isoindole - Isoindoline - 2-heteroaryl carboxamide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Piperidinedione - N-alkylpiperazine - Piperidinone - Delta-lactam - Aminopyrimidine - Aminopyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Substituted pyrrole - Pyrimidine - Pyridine - Piperidine - Carboxylic acid imide, n-substituted - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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)

CDK4 Tclin Cyclin-dependent kinase 4 (0 Activities)

Discover Target: CDK4

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

CDK6 Tclin Cyclin-dependent kinase 6 (0 Activities)

Discover Target: CDK6

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