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BMS-986142

CAT: 0957-S8381-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-S8381-01Size:1 mg
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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) .
CAS Number
1643368-58-4
Target
BTK
Activity
Protein Tyrosine Kinase
Molecular Formula
C32H30F2N4O4
Storage Conditions
3 years -20°C powder

Chemical Information

Bms-986142

BMS-986142 is under investigation in clinical trial NCT02880670 (Pharmacokinetics and Metabolism Study of Radiolabeled BMS-986142 in Healthy Male Subjects).

CAS Number1643368-58-4
PubChem CID86582336
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
Molecular FormulaC32H30F2N4O4
Molecular Weight572.6
XLogP4.4
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count42
Formal Charge0
Complexity1090
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
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
InChIKey
ZRYMMWAJAFUANM-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Bms-986142
CAS: 1643368-58-4
CID: 86582336
Formula: C32H30F2N4O4
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight572.6
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass572.22351178
Monoisotopic Mass572.22351178
Topological Polar Surface Area120 Ų
Heavy Atom Count42
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes