Name: AM-6494
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212686870
Cas No:1874232-80-0
常用名:AM-6494
IUPAC:N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-(prop-2-yn-1-yloxy)pyrazine-2-carboxamide
IUPAC:N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-(prop-2-yn-1-yloxy)pyrazine-2-carboxamide
InChI key:IPUJINDWAGRAHN-KNXBSLHKSA-N

分子式:C22H21F2N5O3S
分子量:473.5
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:2.2140687
SMILES:[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |c:10|
SMILES:[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |c:10|

AM-6494 is a potent and orally active BACE1 inhibitor (IC50: 0.4 nM) with in vivo selectivity over BACE2 (IC50: 18.6 nM).

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