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BMS-986142

CAT: 0013-GTR19168608-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168608-07Size:50 mg
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Description
BMS-986142 is a potent, selective, and reversible inhibitor of Bruton's tyrosine kinase (BTK) with an IC50 of 0.5 nM. It is a valuable research tool for studying BTK-dependent signaling in autoimmune and inflammatory disease models, both in cellular assays and in vivo studies.
CAS Number
1643368-58-4
Product Name Alternative
BTK, Btk, BMS986142, BMS-986142, Bruton tyrosine kinase, BMS 986142, inhibit, Inhibitor
Field of Research
Cardiovascular Research, Signal Transduction
Purity
98.70% (May vary between batches)
Solubility
H2O:Insoluble;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.49 mM) ; DMSO:45 mg/mL (78.59 mM)
Smiles
Cc1c (cccc1-n1c (=O) n (C) c2c (F) cccc2c1=O) -c1c (F) cc (C (N) =O) c2[nH]c3C[C@H] (CCc3c12) C (C) (C) O
Molecular Formula
C32H30F2N4O4
Molecular Weight
572.6
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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Alternative Products

CatalogName
BA8836-25BMS-986142
A19993-200BMS-986142 200mg
A19993-100BMS-986142 100mg
A19993-50BMS-986142 50mg
A19993-10BMS-986142 10mg
A19993-500BMS-986142 500mg
A19993-1BMS-986142 1mg
A19993-25BMS-986142 25mg

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