Products for Research Use Only

BMS-986142

CAT: 0013-GTR19163691-02Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19163691-02Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BMS-986142 (BMS 986142) is a potent, selective and reversible BTK inhibitor with IC50 of 0.5 nM; displays 20-60-fold selectivity over Tec family kinases, >10,000-fold selectivity over JAK2; potently inhibits signaling and functional end points, including calcium flux (IC50=9 nM), production of cytokines, proliferation, and surface expression of CD86 (IC50=3-4 nM) ; potently inhibits BCR-stimulated expression of CD69 on B cells in human whole blood with IC50 of 90 nM; exhibits excellent in vivo properties and efficacy, and a very desirable tolerability and safety profile.Rheumatoid Arthritis Phase 2 Clinical (In Vitro) :BMS-986142 potently inhibits human recombinant BTK with an IC50 of 0.5 nM in enzymatic assays. Against a panel of 384 kinases, BMS-986142 is highly selective, with only five other kinases (Tec, ITK, BLK, Txk, BMX) inhibited with 10,000 nM for both) . When Ramos B cells are treated with anti-IgM to activate BCR, BMS-986142 inhibits BTK-dependent calcium flux with an IC50 of 9 nM. (In Vivo) :BMS-986142 at 4, 10, and 30 mg/kg results in dose-dependent reductions of 26%, 43%, and 79% in clinically evident disease, respectively, at the end of the study. Interestingly, 4 mg/kg BMS-986142 provides an additive benefit in clinical scores (54% inhibition) when co-administered with MTX versus 19% inhibition with MTX alone. Co-administration of BMS-986142 at 4 mg/kg with MTX result in a 53% reduction in inflammation and bone resorption compared with 24% and 10%, respectively, with either drug alone. Furthermore, serum anti-collagen II IgG titers are significantly inhibited with 10 and 30 mg/kg BMS-986142. BMS-986142 also produces dose-dependent reductions in clinical scores when administration is delayed until the collagen booster on day 21. BMS-986142 doses of 2, 4, and 25 mg/kg in this therapeutic dosing regimen result in clinical score reductions of 17%, 37%, and 67%, respectively, at the end of the study.
CAS Number
1643368-58-4
Product Name Alternative
BMS 986142 | BMS986142
Purity
>98% (HPLC)
Solubility
DMSO: 120 mg/mL; Water: Insoluble (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C (C1=CC (F) =[C@] ([C@]2=CC=CC (N3C (N (C) C4=C (C=CC=C4F) C3=O) =O) =C2C) C5=C1NC6=C5CC[C@H] (C (C) (O) C) C6) N
Molecular Formula
C32H30F2N4O4
Molecular Weight
572.613
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
6-Fluoro-5- (R) - (3- (S) - (8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3 (4H) -yl) -2-methylphenyl) -2- (S) - (2-hydroxypropan-2-yl) -2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide

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