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Merestinib dihydrochloride

CAT: 1568-C04158Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C04158Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1206801-37-7
Synonyms
LY2801653 dihydrochloride
SKU
C04158-5mg
Additionnal Information
Merestinib dihydrochloride (LY2801653 dihydrochloride) is a potent, orally bioavailable c-Met inhibitor (Ki=2 nM) with anti-tumor activities. Merestinib dihydrochloride also has potent activity against MST1R (IC50=11 nM), FLT3 (IC50=7 nM), AXL (IC50=2 nM), MERTK (IC50=10 nM), TEK (IC50=63 nM), ROS1, DDR1/2 (IC50=0.1/7 nM) and MKNK1/2 (IC50=7 nM) .
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Merestinib dihydrochloride
CAS Number1206801-37-7
PubChem CID71604306
IUPAC NameN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide;dihydrochloride
Molecular FormulaC30H24Cl2F2N6O3
Molecular Weight625.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1050
SMILES
CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F.Cl.Cl
InChI
InChI=1S/C30H22F2N6O3.2ClH/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19;;/h3-16H,1-2H3,(H,33,34)(H,36,39);2*1H
InChIKey
NNYNNMGUBHQQLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Merestinib dihydrochloride
CAS: 1206801-37-7
CID: 71604306
Formula: C30H24Cl2F2N6O3
MW: 625.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass624.1255004
Monoisotopic Mass624.1255004
Topological Polar Surface Area105 Ų
Heavy Atom Count43
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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