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Substance Name: Abemaciclib mesylate
RN: 1231930-82-7
UNII: KKT462Q807
InChIKey: NCJPFQPEVDHJAZ-UHFFFAOYSA-N

Note

  • A cell cycle inhibitor

    NCI: An orally available cyclin-dependent kinase (CDK) inhibitor that targets the CDK4 (cyclin D1) and CDK6 (cyclin D3) cell cycle pathway, with potential antineoplastic activity. Abemaciclib specifically inhibits CDK4 and 6, thereby inhibiting retinoblastoma (Rb) protein phosphorylation in early G1. Inhibition of Rb phosphorylation prevents CDK-mediated G1-S phase transition, thereby arresting the cell cycle in the G1 phase, suppressing DNA synthesis and inhibiting cancer cell growth. Overexpression of the serine/threonine kinases CDK4/6, as seen in certain types of cancer, causes cell cycle deregulation. (NCI Thesaurus)

Molecular Formula

  • C27-H32-F2-N8.C-H4-O3-S

Molecular Weight

  • 602.7074
 
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Names and Synonyms

Name of Substance

  • Abemaciclib mesylate

Synonyms

  • 2-Pyrimidinamine, N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-, methanesulfonate (1:1)
  • Abemaciclib mesylate
  • LY-2835219 methanesulfonate
  • UNII-KKT462Q807

Registry Numbers

CAS Registry Number

  • 1231930-82-7

FDA UNII

  • KKT462Q807

System Generated Number

  • 1231930827

Structure Descriptors

InChI

1S/C27H32F2N8.CH4O3S/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26;1-5(2,3)4/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34);1H3,(H,2,3,4)

InChIKey

NCJPFQPEVDHJAZ-UHFFFAOYSA-N

Smiles

CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)c4cc(F)c5nc(C)n(C(C)C)c5c4)nc2)CC1.CS(=O)(=O)O