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O-Demethyl Lenvatinib

CAT: 0013-GTR19221702-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221702-01Size:25 mg
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Description
O-Demethyl Lenvatinib is an active metabolite of the multi-kinase inhibitor Lenvatinib. It potently targets VEGFR, FGFR, PDGFR, KIT, and RET, and is used in research for its antitumor properties in both cellular and animal models of cancer.
CAS Number
417717-04-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
NC (=O) c1cc2c (Oc3ccc (NC (=O) NC4CC4) c (Cl) c3) ccnc2cc1O
Molecular Formula
C20H17ClN4O4
Molecular Weight
412.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(3-Chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-hydroxy-6-quinolinecarboxamide
CAS Number417717-04-5
PubChem CID135566046
IUPAC Name4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-hydroxyquinoline-6-carboxamide
Molecular FormulaC20H17ClN4O4
Molecular Weight412.8
XLogP3
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity619
SMILES
C1CC1NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)O)C(=O)N)Cl
InChI
InChI=1S/C20H17ClN4O4/c21-14-7-11(3-4-15(14)25-20(28)24-10-1-2-10)29-18-5-6-23-16-9-17(26)13(19(22)27)8-12(16)18/h3-10,26H,1-2H2,(H2,22,27)(H2,24,25,28)
InChIKey
XEZZOIWZFIDBIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-hydroxy-6-quinolinecarboxamide
CAS: 417717-04-5
CID: 135566046
Formula: C20H17ClN4O4
MW: 412.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.8
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass412.0938327
Monoisotopic Mass412.0938327
Topological Polar Surface Area127 Ų
Heavy Atom Count29
Formal Charge0
Complexity619
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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