Vatalanib free base 500mg

CAT: 0628-A21871-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A21871-500Size:500 mg

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CAS Number

212141-54-3

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Vatalanib is a member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively.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 Number	212141-54-3
PubChem CID	151194
IUPAC Name	N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Molecular Formula	C20H15ClN4
Molecular Weight	346.8
XLogP	4.5
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	407

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

CAS: 212141-54-3

CID: 151194

Formula: C20H15ClN4

MW: 346.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	346.8
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	346.0985242
Monoisotopic Mass	346.0985242
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	407
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

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