Organofluorine / Alfa Chemistry
BMS-777607

BMS-777607

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BMS-777607

Description: BMS-777607 is a Met-related inhibitor for c-Met, Axl, Ron and Tyro3 with IC50 of 3.9 nM, 1.1 nM, 1.8 nM and 4.3 nM in cell-free assays, 40-fold more selective for Met-related targets versus Lck, VEGFR-2, and TrkA/B, and more than 500-fold greater selectivity versus all other receptor and non receptor kinases. Phase 1/2.

Catalog OFC1025720948
CAS 1025720-94-8
Category Fluorinated APIs
Synonyms N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Purity >98%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
InChI Key VNBRGSXVFBYQNN-UHFFFAOYSA-N
Isomeric SMILES CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
Molecular Formula C25H19ClF2N4O4
Molecular Weight 512.89
Appearance White to off-white solid powder
XLogP3-AA 4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 512.1062891 g/mol
Monoisotopic Mass 512.1062891 g/mol
Topological Polar Surface Area 107Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 867

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