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Vamotinib

CAT: 0013-GTR19184877-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184877-06Size:50 mg
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Description
Vamotinib (PF-114) is a specific, orally bioavailable tyrosine kinase inhibitor that potently targets both native and T315I-mutant BCR-ABL, inducing apoptosis. It is a valuable research tool for investigating drug-resistant Ph+ leukemias and has been explored in preclinical models of Alzheimer's disease.
CAS Number
1416241-23-0
Product Name Alternative
Bcr-Abl, BcrAbl, Apoptosis, PF-114, Tyrosine Kinases, TyrosineKinases
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
99.34% (May vary between batches)
Solubility
10% DMSO+90% Saline:2 mg/mL (3.76 mM) ; DMSO:30 mg/mL (56.33 mM)
Smiles
CN1CCN (Cc2ccc (NC (=O) c3ccc (C) c (c3) C#Cc3nnc4ccccn34) cc2C (F) (F) F) CC1
Molecular Formula
C29H27F3N6O
Molecular Weight
532.56
Storage Conditions
-20°C
Notes
For research use only.

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 Number1416241-23-0
PubChem CID71475839
IUPAC Name4-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 FormulaC29H27F3N6O
Molecular Weight532.6
XLogP5
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity910
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
2D structure of Vamotinib
CAS: 1416241-23-0
CID: 71475839
Formula: C29H27F3N6O
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass532.21984399
Monoisotopic Mass532.21984399
Topological Polar Surface Area65.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8806-5.1Vamotinib

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