BMS-986142

Description: BMS-986142 is a potent and highly selective reversible small molecule inhibitor of BTK with an IC50 of 0.5 nM. In a panel of 384 kinases, only five kinases were inhibited by BMS-986142 with less than 100-fold selectivity for BTK (TEC, ITK, BLK, TXK and BMX).

• Catalog: OFC1643368584
• CAS: 1643368-58-4
• Category: Fluorinated APIs
• Purity: >98%

• IUPAC Name: (7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
• InChI: InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1
• InChI Key: ZRYMMWAJAFUANM-INIZCTEOSA-N
• Isomeric SMILES: CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)C[C@H](CC6)C(C)(C)O)C(=O)N)F

• Molecular Formula: C32H30F2N4O4
• Molecular Weight: 572.62
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 572.22351178 g/mol
• Monoisotopic Mass: 572.22351178 g/mol
• Topological Polar Surface Area: 120Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1090