Name: BMS-599626 2HCL(714971-09-2 Free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212658622
Cas No:1781932-33-9
常用名:BMS-599626 2HCL(714971-09-2 Free base)
常用名:BMS-599626 2HCL(714971-09-2 Free base)
别名:BMS-599626 2HCL(714971-09-2 Free base), BMS 599626 dihydrochloride, AC480 2HCl
别名:BMS-599626 2HCL(714971-09-2 Free base), BMS 599626 dihydrochloride, AC480 2HCl
IUPAC:[(3S)-morpholin-3-yl]methyl N-[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate dihydrochloride
IUPAC:[(3S)-morpholin-3-yl]methyl N-[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate dihydrochloride
InChI key:SKHKFWSXLCGMNF-IKXQUJFKSA-N

分子式:C27H29Cl2FN8O3
分子量:603.48
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:0.74898815
SMILES:Cl.Cl.Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
SMILES:Cl.Cl.Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12

BMS 599626 dihydrochloride is a potent and selective EGFR and ErbB2 inhibitor. BMS-599626 inhibited HER4 (IC50: 190 nM). In Sal2, N87, and GEO tumor cells, BMS-599626 inhibited phosphorylation of HER1 and HER2 in a dose-dependent way and inhibited cell proliferation. In AU565 breast cancer cells, BMS-599626 (1μM) inhibited HER1/HER2 heterodimer formation. In tumor cells that forming HER1/HER2 heterodimers, BMS-599626 inhibited heterodimerization [1][2].

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