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C-Met-IN-13

CAT: 0804-HY-150576Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-150576Size:1 Each
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Description
C-Met-IN-13 is a potent c-Met inhibitor with an IC50 value of 2.43 nM. c-Met-IN-13 shows excellent cytotoxicity for cancer cells. c-Met-IN-13 shows antiproliferative activity in a concentration- and time- dependent manner. c-Met-IN-13 has the potential for the research of cancer[1].
CAS Number
2377724-93-9
UNSPSC
12352005
Target
C-Met/HGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/c-met-in-13.html
Solubility
10 mM in DMSO
Smiles
O=C(OC(C(C)(C)C)C(NC1=CC=C(OC2=CC=NC3=CC(OC)=C(OC)C=C23)C(F)=C1)=O)C4=CC=C(F)C=C4
Molecular Formula
C30H28F2N2O6
Molecular Weight
550.55
References & Citations
[1]Nan X, et al. Structure-based discovery of novel 4- (2-fluorophenoxy) quinoline derivatives as c-Met inhibitors using isocyanide-involved multicomponent reactions. Eur J Med Chem. 2020 May 1;193:112241.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

c-Met-IN-13
CAS Number2377724-93-9
PubChem CID162662806
IUPAC Name[1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-3,3-dimethyl-1-oxobutan-2-yl] 4-fluorobenzoate
Molecular FormulaC30H28F2N2O6
Molecular Weight550.5
XLogP6.4
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity849
SMILES
CC(C)(C)C(C(=O)NC1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)F)OC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C30H28F2N2O6/c1-30(2,3)27(40-29(36)17-6-8-18(31)9-7-17)28(35)34-19-10-11-24(21(32)14-19)39-23-12-13-33-22-16-26(38-5)25(37-4)15-20(22)23/h6-16,27H,1-5H3,(H,34,35)
InChIKey
FVPYEAORCOKOLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Met-IN-13
CAS: 2377724-93-9
CID: 162662806
Formula: C30H28F2N2O6
MW: 550.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass550.19154294
Monoisotopic Mass550.19154294
Topological Polar Surface Area96 Ų
Heavy Atom Count40
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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