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Vatalanib

CAT: 0926-MIA14154-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-MIA14154-02Size:1 g
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CAS Number
212141-54-3
MDL Number
MFCD08458963
Smiles
C1=CC=C2C (=C1) C (=NN=C2NC3=CC=C (C=C3) Cl) CC4=CC=NC=C4
Molecular Formula
C20H15ClN4
Molecular Weight
346.8 g/mol
Controlled
No

Chemical Information

Vatalanib

Vatalanib is a member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of pyridines, a member of phthalazines, a secondary amino compound and a member of monochlorobenzenes.

CAS Number212141-54-3
PubChem CID151194
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Molecular FormulaC20H15ClN4
Molecular Weight346.8
XLogP4.5
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity407
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4
InChI
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
InChIKey
YCOYDOIWSSHVCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vatalanib
CAS: 212141-54-3
CID: 151194
Formula: C20H15ClN4
MW: 346.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.8
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass346.0985242
Monoisotopic Mass346.0985242
Topological Polar Surface Area50.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity407
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
HY-10203-01Vatalanib
C8454-250Vatalanib succinate
T87609-01Vatalanib hydrochloride
291905-01Vatalanib dihydrochloride
MBS8506150-01Vatalanib (PTK787)
GTR19168142-01Vatalanib 2HCl

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