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Fruquintinib 25mg

CAT: 0628-A14393-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A14393-25Size:25 mg
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CAS Number
1194506-26-7

Chemical Information

Fruquintinib

Fruquintinib is a member of the class of quinazolines that is quinazoline substituted by [2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy, methoxy, and methoxy groups at positions 4, 6, and 7, respectively. It is a highly potent and selective inhibitor of VEGFR 1, 2 and 3 (IC50 = 33, 0.35, and 35 nM) used for the treatment of metastatic colorectal cancer. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a vascular endothelial growth factor receptor antagonist. It is a secondary carboxamide, an aromatic ether, a member of quinazolines and a member of 1-benzofurans.

CAS Number1194506-26-7
PubChem CID44480399
IUPAC Name6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
Molecular FormulaC21H19N3O5
Molecular Weight393.4
XLogP3.4
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity579
SMILES
CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC
InChI
InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
InChIKey
BALLNEJQLSTPIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fruquintinib
CAS: 1194506-26-7
CID: 44480399
Formula: C21H19N3O5
MW: 393.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass393.13247072
Monoisotopic Mass393.13247072
Topological Polar Surface Area95.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity579
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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