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Fruquintinib

CAT: 0013-GTR19174793-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174793-02Size:25 mg
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Description
Fruquintinib
CAS Number
1194506-26-7
Product Name Alternative
HMPL-013
Field of Research
Cardiovascular Research, Neuroscience
Purity
>98%
Bioactivity
Potent and selective inhibitor of VEGFR kinase
Form
Powder
Solubility
Soluble in DMSO (up to 5 mg/ml)
Smiles
CNC (=O) c1c (C) oc2cc (Oc3ncnc4cc (OC) c (OC) cc34) ccc12
Molecular Formula
C21H19N3O4
Molecular Weight
393.4
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
6- (6,7-Dimethoxyquinazolin-4-yl) oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

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

Alternative Products

CatalogName
FF137674-01Fruquintinib
A14393-50Fruquintinib 50mg
HY-19912R-01Fruquintinib (Standard)
RM-F182128-01Fruquintinib-D6
A14393-500Fruquintinib 500mg
A14393-25Fruquintinib 25mg

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