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Substance Name: Palbociclib Isethionate [USAN]
RN: 827022-33-3
UNII: W1NYL2IRDR
InChIKey: LYYVFHRFIJKPOV-UHFFFAOYSA-N

Note

  • Specific inhibitor of cyclin-dependent kinases 4 & 6.

    NCI: An orally available cyclin-dependent kinase (CDK) inhibitor with potential antineoplastic activity. Palbociclib selectively inhibits cyclin-dependent kinase 4 (CDK4) and 6 (CDK6), thereby inhibiting retinoblastoma (Rb) protein phosphorylation early in the G1 phase leading to cell cycle arrest. This suppresses DNA replication and decreases tumor cell proliferation. CDK4 and 6 are serine/threonine kinases that are upregulated in many tumor cell types and play a key role in the regulation of cell cycle progression.(NCI Thesaurus)

Molecular Formula

  • C24-H29-N7-O2.C2-H6-O4-S

Molecular Weight

  • 573.6715
 

Classification Codes

  • Antineoplastic Agents
  • Protein Kinase Inhibitors
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Names and Synonyms

Name of Substance

  • Palbociclib Isethionate [USAN]

Synonyms

  • Palbociclib Isethionate
  • PD 0332991-0054
  • PF-00080665-73
  • UNII-W1NYL2IRDR

Registry Numbers

CAS Registry Number

  • 827022-33-3

FDA UNII

  • W1NYL2IRDR

System Generated Number

  • 0827022333

Structure Descriptors

InChI

1S/C24H29N7O2.C2H6O4S/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;3-1-2-7(4,5)6/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);3H,1-2H2,(H,4,5,6)

InChIKey

LYYVFHRFIJKPOV-UHFFFAOYSA-N

Smiles

Cc1c2cnc(nc2n(c(=O)c1C(=O)C)C3CCCC3)Nc4ccc(cn4)N5CCNCC5.C(CS(=O)(=O)O)O