Name: AMG-222
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212714669
Cas No:913978-37-7
常用名:AMG-222
别名:AMG 222, ALS-2-0426 free base, ALS-2-0426, ALS-20426
别名:AMG 222, ALS-2-0426 free base, ALS-2-0426, ALS-20426
IUPAC:2-[(2S)-2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)propyl]-N6,N6,N13,N13-tetramethyl-2-(1H-1,2,3,4-tetrazol-5-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-6,13-dicarboxamide
IUPAC:2-[(2S)-2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)propyl]-N6,N6,N13,N13-tetramethyl-2-(1H-1,2,3,4-tetrazol-5-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-6,13-dicarboxamide
InChI key:NVSWJKWHLUTHLP-CPJSRVTESA-N

分子式:C32H39N9O3
分子量:597.724
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:-0.1513287
SMILES:C[C@@H](CC1(c2nnn[nH]2)c2ccc(cc2CCc2cc(ccc12)C(=O)N(C)C)C(=O)N(C)C)NCC(=O)N1CCC[C@H]1C#N
SMILES:C[C@@H](CC1(c2nnn[nH]2)c2ccc(cc2CCc2cc(ccc12)C(=O)N(C)C)C(=O)N(C)C)NCC(=O)N1CCC[C@H]1C#N

AMG-222 (ALS-2-0426, ALS-20426) is a DPP-4 inhibitor and may be used in the treatment of type 2 diabetes.

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