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Met-kinase-in-2

CAT: 0013-GTR19215535-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215535-01Size:100 mg
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Description
MET kinase-IN-2 is a potent and selective MET inhibitor with an IC50 of 7.4 nM. It demonstrates oral bioavailability and has shown antitumor activity in research models, supporting its use in studying MET-driven cancers in both in vitro and in vivo experimental settings.
CAS Number
2101241-90-9
Field of Research
Cell Biology, Signal Transduction
Smiles
CC (C) (O) COc1ccc2c (Oc3ccc (Nc4nccc5[nH]cc (-c6ccccc6) c (=O) c45) cc3F) ccnc2c1
Molecular Formula
C33H27FN4O4
Molecular Weight
562.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MET kinase-IN-2
CAS Number2101241-90-9
PubChem CID134401435
IUPAC Name5-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyanilino]-3-phenyl-1H-1,6-naphthyridin-4-one
Molecular FormulaC33H27FN4O4
Molecular Weight562.6
XLogP6.4
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity958
SMILES
CC(C)(COC1=CC2=NC=CC(=C2C=C1)OC3=C(C=C(C=C3)NC4=NC=CC5=C4C(=O)C(=CN5)C6=CC=CC=C6)F)O
InChI
InChI=1S/C33H27FN4O4/c1-33(2,40)19-41-22-9-10-23-27(17-22)35-15-13-28(23)42-29-11-8-21(16-25(29)34)38-32-30-26(12-14-36-32)37-18-24(31(30)39)20-6-4-3-5-7-20/h3-18,40H,19H2,1-2H3,(H,36,38)(H,37,39)
InChIKey
DGRCFAYRKDYEMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MET kinase-IN-2
CAS: 2101241-90-9
CID: 134401435
Formula: C33H27FN4O4
MW: 562.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.6
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass562.20163352
Monoisotopic Mass562.20163352
Topological Polar Surface Area106 Ų
Heavy Atom Count42
Formal Charge0
Complexity958
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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Alternative Products

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T8795-01Met-kinase-in-2
HY-131065-01MET kinase-IN-2
HY-146884MET kinase-IN-3
sc-204801Met Kinase Inhibitor
HY-18309-01MET kinase-IN-4
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