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Substance Name: Alpelisib [USAN:INN]
RN: 1217486-61-7
UNII: 08W5N2C97Q
InChIKey: STUWGJZDJHPWGZ-LBPRGKRZSA-N

Note

  • NCI: alpelisib. An orally bioavailable phosphatidylinositol 3-kinase (PI3K) inhibitor with potential antineoplastic activity. Alpelisib specifically inhibits PIK3 in the PI3K/AKT kinase (or protein kinase B) signaling pathway, thereby inhibiting the activation of the PI3K signaling pathway. This may result in inhibition of tumor cell growth and survival in susceptible tumor cell populations. Activation of the PI3K signaling pathway is frequently associated with tumorigenesis. Dysregulated PI3K signaling may contribute to tumor resistance to a variety of antineoplastic agents. (NCI Thesaurus)

Molecular Formula

  • C19-H22-F3-N5-O2-S

Molecular Weight

  • 441.4758
 

Classification Code

  • Antineoplastic
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Names and Synonyms

Name of Substance

  • Alpelisib [USAN:INN]
  • BYL-719

Synonyms

  • (S)-Pyrrolidine-1,2-dicarboxylic acid 2-amide 1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-pyridin-4-yl)thiazol-2-yl)amide
  • 1,2-Pyrrolidinedicarboxamide, N1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)-, (2S)-
  • Alpelisib
  • BYL 719
  • BYL-719
  • BYL719
  • UNII-08W5N2C97Q

Registry Numbers

CAS Registry Number

  • 1217486-61-7

FDA UNII

  • 08W5N2C97Q

Other Registry Number

  • 1361185-44-5

System Generated Number

  • 1217486617

Structure Descriptors

InChI

1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1

InChIKey

STUWGJZDJHPWGZ-LBPRGKRZSA-N

Smiles

Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F