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Cabozantinib hydrochloride

CAT: 1568-C03453-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:1568-C03453-50mgSize:50 mg
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CAS Number
1817759-42-4
Synonyms
XL184, BMS-907351 hydrochloride
Target
C-Met
Applications
Protein Tyrosine Kinase
Molecular Formula
C28H24FN3O5.ClH
Additionnal Information
Cabozantinib hydrochloride (XL184, BMS-907351 hydrochloride) is a potent small-molecule kinase inhibitor of c-MET and VEGFR2 with an IC50 of 1.3 nM, 0.035 nM respectively. It also inhibits RET, KIT, AXL, Tie2 and FLT3 with an IC50's of 5.2 nM, 4.6 nM, 7 nM, 14.3 nM, 11.3nM respectively. It can be promising agent for inhibiting tumor angiogenesis and metastasis in cancers with dysregulated MET and VEGFR signaling.

Chemical Information

N'1-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide hydrochloride
CAS Number1817759-42-4
PubChem CID122573030
IUPAC Name1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrochloride
Molecular FormulaC28H25ClFN3O5
Molecular Weight538.0
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity795
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F.Cl
InChI
InChI=1S/C28H24FN3O5.ClH/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18;/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);1H
InChIKey
LCNVAOXPKXBXEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'1-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide hydrochloride
CAS: 1817759-42-4
CID: 122573030
Formula: C28H25ClFN3O5
MW: 538.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass537.1466768
Monoisotopic Mass537.1466768
Topological Polar Surface Area98.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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