Branebrutinib (BMS-986195)

CAT: 1568-C13704-5mgSize: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1568-C13704-5mgSize:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1912445-55-6

Target

BTK

Applications

Protein Tyrosine Kinase

Smiles

CC#CC (=O) NC1CCCN (C1) C2=C (C=C (C3=C2C (=C (N3) C) C) C (=O) N) F

Molecular Formula

C20H23FN4O2

Additionnal Information

Branebrutinib (BMS-986195) is a potent inhibitor of BTK with IC50 values of 0.1 nM, 0.9 nM, 1.5 nM, 5 nM for BTK, TEC, BMX, TXK, respectively.

Storage Conditions

3 years -20°C powder

Chemical Information

Branebrutinib

Branebrutinib is under investigation in clinical trial NCT02705989 (Safety, Tolerability and Relative Bioavailability Study of BMS-986195 in Healthy Subjects).

CAS Number	1912445-55-6
PubChem CID	121293929
IUPAC Name	4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Molecular Formula	C20H23FN4O2
Molecular Weight	370.4
XLogP	2.8
Topological Polar Surface Area	91.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	657

SMILES

CC#CC(=O)N[C@H]1CCCN(C1)C2=C(C=C(C3=C2C(=C(N3)C)C)C(=O)N)F

InChI

InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1

InChIKey

VJPPLCNBDLZIFG-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 1912445-55-6

CID: 121293929

Formula: C20H23FN4O2

MW: 370.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	370.4
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	370.18050415
Monoisotopic Mass	370.18050415
Topological Polar Surface Area	91.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	657
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
C01982-01	BMS-986365
C13382-01	BMS-986142
C14534-5mg	BMS-986299
C14417-100mg	BMS-986158
C13382-5mg	BMS-986142
C03239-1g	BMS-986235
C03239-25mg	BMS-986235
C01982-100mg	BMS-986365
C01982-25mg	BMS-986365
C14534-01	BMS-986299

Alternative Products

Catalog	Name
S8832-2mg	Branebrutinib (BMS-986195)
M12996-01	BMS-986195
GTR19168463-01	Branebrutinib
A20043-5	Branebrutinib 5mg
A20043-100	Branebrutinib 100mg
A20043-200	Branebrutinib 200mg
A20043-50	Branebrutinib 50mg
A20043-2	Branebrutinib 2mg
A20043-500	Branebrutinib 500mg
A20043-25	Branebrutinib 25mg

Branebrutinib (BMS-986195)

Chemical Information

Related Products

Alternative Products

Popular Products