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Fruquintinib(HMPL-013)

CAT: 0607-B5864-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B5864-5Size:5 mg
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Description
Potent and selective inhibitor of VEGFR 1, 2, 3
CAS Number
1194506-26-7
Product Name Alternative
(Z)-6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carbimidic acid
Field of Research
Tyrosine Kinase VEGFR
Purity
0.9979
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥6.35 mg/mL in DMSO
Smiles
CC(O1)=C(/C(O)=N/C)C2=C1C=C(OC3=NC=NC4=CC(OC)=C(OC)C=C43)C=C2
Molecular Formula
C21H19N3O5
Molecular Weight
393.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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
Loading 3D structure...
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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