2212020-52-3 (奥格列龙,Orforglipron)

CAS号:
2212020-52-3
中文名称:
奥格列龙
英文名称:
Orforglipron
分子式:
C48H50F2N10O5
分子量:
884.971416950226
简介:
Orforglipron (LY3502970) (GLP-1 receptor agonist 1) 是一种胰高血糖素样肽 (GLP-1) 受体激动剂,详细信息请参考专利文献 WO2018056453A1 中的化合物 67。

奥格列龙(2212020-52-3)名称与标识符

名称

中文别名:
奥格列隆;奥氟立普龙;
英文别名:
GLP-1 receptor agonist 1;3-[(1S,2S)-1-[5-[(4S)-2,2-Dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-;3-[(1S,2S)-1-[5-[(4S)-2,2-Dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazolidin-5-one;Orforglipron;Orforglipron (USAN);EX-A7751;CS-0043632;D12536;3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one;3-((1S,2S)-1-(5-((4S)-2,2-dimethyloxan-4-yl)-2-((4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-(3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl)-4-methyl-6,7-dihydro-4H-pyrazolo(4,3-c)pyridine-5-carbonyl)indol-1-yl)-2-methylcyclopropyl)-4H-1,2,4-oxadiazol-5-one;MS-31635;GTPL12175;HY-112185;3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one;Orforglipron [WHO-DD];BDBM50514045;G16502;V6G;ORFORGLIPRON [USAN];orforglipron [INN];SCHEMBL21175277;LY-3502970;AKOS040733262;OWL833;2212020-52-3;LY3502970;GLP-1 receptor agonist 1;Orforglipron;3-[(1S,2S)-1-({2-(4-fluoro-3,5-dimethylphenyl)-3-({3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}carbonyl)-5-[(4S)-2,2-dimethyloxan-4-yl]-1H-indol-1-yl}-2-methylcyclopropyl]-5-oxo-1,2,4-oxadiazol-4(5H)-ide;1,2,4-Oxadiazol-5(2H)-one, 3-[(1S,2S)-1-[2-[[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-1H-indol-1-yl]-2-methylcyclopropyl]-;7ZW40D021M;CHEMBL4446782;DA-53585;

标识符

InChIKey:
ODKSGLKPGFWSSB-BWIQJDIQSA-N
Inchi:
1S/C48H50F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30,44,54H,12-14,17,22-23H2,1-7H3,(H,52,62)/t27-,28-,30-,44?,48-/m0/s1
SMILES:
FC1C(C)=CC(=CC=1C)N1C(=C2C(CCN([C@H]2C)C(C2=CC3C=C([C@H]4CCOC(C)(C)C4)C=CC=3N2[C@@]2(C3NOC(N3)=O)C[C@@H]2C)=O)=N1)N1C=CN(C2C=CC3=C(C=NN3C)C=2F)C1=O

奥格列龙(2212020-52-3)物化性质

计算特性

  • 精确分子量 : 884.39337106 g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 7
  • 同位素质量 : 884.39337106 g/mol
  • 重原子数量 : 65
  • 复杂度 : 1890
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 6.5
  • 拓扑分子极性表面积 : 144
  • 分子量 : 885.0

奥格列龙(2212020-52-3)安全信息

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