Name: TCS-OX2-29 HCl
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212711795
Cas No:1610882-30-8
常用名:TCS-OX2-29 HCl
别名:TCSOX-229, TCS-OX229, TCSOX229, TCSOX 229, TCS OX229, TCS OX2 29
别名:TCSOX-229, TCS-OX229, TCSOX229, TCSOX 229, TCS OX229, TCS OX2 29
IUPAC:(2S)-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-3,3-dimethyl-2-{[(pyridin-4-yl)methyl]amino}butan-1-one hydrochloride
IUPAC:(2S)-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-3,3-dimethyl-2-{[(pyridin-4-yl)methyl]amino}butan-1-one hydrochloride
InChI key:NHKNHFJTMINMBP-ZMBIFBSDSA-N

分子式:C23H32ClN3O3
分子量:433.98
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:2.7155945
SMILES:Cl.COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C
SMILES:Cl.COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C

TCS-OX2-29 is a selective orexin-2 receptor antagonist (IC50 = 40 nM), which plays an important role in pain modulation.

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