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Cabozantinib (XL184)

CAT: 1568-C07536-10mM/1mLSize: 10 mm/ 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C07536-10mM/1mLSize:10 mm/ 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
849217-68-1
Synonyms
BMS-907351
Target
C-Met
Applications
Protein Tyrosine Kinase
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
Molecular Formula
C28H24FN3O5
Additionnal Information
Cabozantinib (XL184) is a potent VEGFR2 inhibitor with IC50 of 0.035 nM and also inhibits c-Met, Ret, Kit, Flt-1/3/4, Tie2, and AXL with IC50 of 1.3 nM, 4 nM, 4.6 nM, 12 nM/11.3 nM/6 nM, 14.3 nM and 7 nM in cell-free assays, respectively. Cabozantinib induces PUMA-dependent apoptosis in colon cancer cells via AKT/GSK-3β/NF-κB signaling pathway.
Storage Conditions
2 years -80 in solvent

Chemical Information

Cabozantinib

Cabozantinib is a dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is a member of quinolines, an aromatic ether, a dicarboxylic acid diamide and an organofluorine compound.

CAS Number849217-68-1
PubChem CID25102847
IUPAC Name1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Molecular FormulaC28H24FN3O5
Molecular Weight501.5
XLogP5.4
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count37
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
InChI
InChI=1S/C28H24FN3O5/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)
InChIKey
ONIQOQHATWINJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cabozantinib
CAS: 849217-68-1
CID: 25102847
Formula: C28H24FN3O5
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass501.16999904
Monoisotopic Mass501.16999904
Topological Polar Surface Area98.8 Ų
Heavy Atom Count37
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 Count1
Compound Is CanonicalizedYes

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S1119-5mgCabozantinib (XL184)
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A2977-5Cabozantinib (XL184, BMS-907351)
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A10996-200XL184 free base (Cabozantinib) 200mg
A10996-500XL184 free base (Cabozantinib) 500mg
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