Alpelisib

Description: Alpelisib / BLY719 specifically inhibits PIK3 in the PI3K/AKT kinase (or protein kinase B) signaling pathway, thereby inhibiting tumor cell growth.

• Catalog: OFC1217486617
• CAS: 1217486-61-7
• Category: Fluorinated APIs
• Synonyms: BLY719
• Purity: >98%

• IUPAC Name: (2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
• InChI: 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
• InChI Key: STUWGJZDJHPWGZ-LBPRGKRZSA-N
• Isomeric SMILES: CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F
• EC Number: 806-598-7

• Molecular Formula: C19H22F3N5O2S
• Molecular Weight: 441.47
• Appearance: White solid powder

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 441.14463062 g/mol
• Monoisotopic Mass: 441.14463062 g/mol
• Topological Polar Surface Area: 129Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 663