Vecabrutinib

CAT: 0931-T17220-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T17220-01Size:1 mg

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

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CAS Number

1510829-06-7

Target

BTK, Tyrosine Kinases

Related Pathways

Angiogenesis, Tyrosine Kinase/Adaptors

Purity

>99.99%

Bioactivity

Vecabrutinib (SNS-062) is a potent, noncovalent inhibitor of BTK (Kd: 0.3 nM) and ITK (Kd: 2.2 nM), with an IC50 of 24 nM for ITK.

Smiles

NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(c2)C(F)(F)F)C1=O)c1ncnc(N)c1F

Molecular Formula

C22H24ClF4N7O2

Molecular Weight

529.92

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Vecabrutinib

Vecabrutinib is under investigation in clinical trial NCT03037645 (Safety, PK, PD, and Antitumor Activity of Vecabrutinib (SNS-062) in B Lymphoid Cancers).

CAS Number	1510829-06-7
PubChem CID	72547837
IUPAC Name	(3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide
Molecular Formula	C22H24ClF4N7O2
Molecular Weight	529.9
XLogP	2.7
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	36
Formal Charge	0
Complexity	809

SMILES

C1C[C@H](C(=O)N(C1)[C@H]2CN(CC[C@@H]2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1

InChIKey

QLRRJMOBVVGXEJ-XHSDSOJGSA-N

Chemical Structure

2D Structure

CAS: 1510829-06-7

CID: 72547837

Formula: C22H24ClF4N7O2

MW: 529.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	529.9
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	529.1616134
Monoisotopic Mass	529.1616134
Topological Polar Surface Area	130 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	809
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS133159	Vecabrutinib
A17189-25	Vecabrutinib 25mg
A17189-5	Vecabrutinib 5mg
A17189-50	Vecabrutinib 50mg
A17189-10	Vecabrutinib 10mg
AR-R02027-01	Vecabrutinib-d4
A17189-1	Vecabrutinib 1mg
A17189-100	Vecabrutinib 100mg

Vecabrutinib

Chemical Information

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