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Chemical structure of Vatalanib (PTK787) 2HCl

GC17955

Vatalanib (PTK787) 2HCl

Also known as N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride

Vatalanib (PTK787) 2HCl (PTK787 dihydrochloride) is an inhibitor of VEGFR2/KDR with IC50 of 37 nM

ChemicalCAS212141-51-0MW419.73FormulaC20H15ClN4·2HCl
CAS number
212141-51-0
Molecular weight
419.73
Formula
C20H15ClN4·2HCl
Solubility
≥ 21mg/mL in DMSO
InChIKey
AZUQEHCMDUSRLH-UHFFFAOYSA-N
Catalogue number
GC17955
Brand
GLPBIO
Computed properties PubChem CID 22386467 · TPSA 50.7 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
50.7 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27

SMILES C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.Cl.Cl

Computed descriptors from PubChem (CID 22386467), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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