Vamotinib

CAT: 0931-T63746-08Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0931-T63746-08Size:200 mg

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

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CAS Number

1416241-23-0

Target

Apoptosis, Tyrosine Kinases, Bcr-Abl

Related Pathways

Tyrosine Kinase/Adaptors, Angiogenesis, Apoptosis, Cytoskeletal Signaling

Purity

0.9964

Bioactivity

Vamotinib (PF-114) is an orally active and specific tyrosine kinase inhibitor with antiproliferative and antitumour activity.Vamotinib inhibits the phosphorylation of BCR/ABL and BCR/ABL-T315I, which promotes apoptosis. Vamotinib is used to study drug-resistant Philadelphia chromosome-positive (Ph+) leukaemia and Alzheimer's disease.

Smiles

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1

Molecular Formula

C29H27F3N6O

Molecular Weight

532.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Vamotinib

Vamotinib (PF-114) is under investigation in clinical trial NCT02885766 (Study to Evaluate Tolerability, Safety, Pharmacokinetics and Preliminary Efficacy of PF-114 for Oral Administration in Adults With Ph+ Chronic Myeloid Leukemia, Which is Resistant to the 2-nd Generation Bcr-Abl Inhibitors or Has T315I Mutation in the BCR-ABL Gene).

CAS Number	1416241-23-0
PubChem CID	71475839
IUPAC Name	4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide
Molecular Formula	C29H27F3N6O
Molecular Weight	532.6
XLogP	5
Topological Polar Surface Area	65.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	910

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=NN=C5N4C=CC=C5

InChI

InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)

InChIKey

SLIVDYMORZGPLW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1416241-23-0

CID: 71475839

Formula: C29H27F3N6O

MW: 532.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	532.6
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	532.21984399
Monoisotopic Mass	532.21984399
Topological Polar Surface Area	65.8 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	910
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
GTR19184877-01	Vamotinib

Vamotinib

Chemical Information

Alternative Products

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