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Vatalanib (PTK787) 2HCl

CAT: 0957-S1101-300mgSize: 300 mgDry Ice: YesHazardous: No
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CAT#:0957-S1101-300mgSize:300 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
212141-51-0
Synonyms
ZK 222584 (cpg-79787) 2HCl
Target
VEGFR
Applications
Protein Tyrosine Kinase
Smiles
C1=CC=C2C (=C1) C (=NN=C2NC3=CC=C (C=C3) Cl) CC4=CC=NC=C4.Cl.Cl
Molecular Formula
C20H15ClN4.2HCl
Additionnal Information
Vatalanib 2HCl (PTK787, ZK 222584, cpg-79787) is an inhibitor of VEGFR2/KDR with IC50 of 37 nM in a cell-free assay, less potent against VEGFR1/Flt-1, 18-fold against VEGFR3/Flt-4. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Vatalanib dihydrochloride

Vatalanib dihydrochloride is a member of phthalazines.

CAS Number212141-51-0
PubChem CID22386467
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride
Molecular FormulaC20H17Cl3N4
Molecular Weight419.7
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity407
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.Cl.Cl
InChI
InChI=1S/C20H15ClN4.2ClH/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);2*1H
InChIKey
AZUQEHCMDUSRLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vatalanib dihydrochloride
CAS: 212141-51-0
CID: 22386467
Formula: C20H17Cl3N4
MW: 419.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass418.051880
Monoisotopic Mass418.051880
Topological Polar Surface Area50.7 Ų
Heavy Atom Count27
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 Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A1778-5.1Vatalanib (PTK787) 2HCl
A10967-200Vatalanib (PTK787) 2HCl 200mg
A10967-25Vatalanib (PTK787) 2HCl 25mg
A10967-5Vatalanib (PTK787) 2HCl 5mg
A10967-10mM-DVatalanib (PTK787) 2HCl 10mM * 1mL in DMSO
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