Chemical Compound

(S)-1-(((3-Cyanopyridin-2-yl)oxy)methyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)cyclohex-3-ene-1-carboxylic acid

CAS Registry Number 2122781-86-4
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(S)-1-(((3-Cyanopyridin-2-yl)oxy)methyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)cyclohex-3-ene-1-carboxylic acid 结构式
Primary record

(S)-1-(((3-Cyanopyridin-2-yl)oxy)methyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)cyclohex-3-ene-1-carboxylic acid

库存
4,331 克
纯度
98.2 %
CAS
2122781-86-4

化合物标识与属性

CAS
2122781-86-4
PubChem CID
130343923
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(CC=C(C5(C)C)C6=CC[C@@](CC6)(COC7=C(C=CC=N7)C#N)C(=O)O)C)C)NCCN8CCS(=O)(=O)CC8
Canonical SMILES
C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@@](COc7ncccc7C#N)(C(=O)O)CC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

名称与同义词

  • Zegruvirimat
  • Zegruvirimat [INN]
  • RefChem:889213
  • Zegruvirimat (USAN/INN)
  • ZEGRUVIRIMAT [USAN]
  • 4AN783M8MZ
  • UNII-4AN783M8MZ
  • orb1982799
  • CHEMBL6067965
  • SCHEMBL19258612
  • SCHEMBL31372026
  • Steroid pyridyl carboxylate derivative
  • GSK3739937
  • GSK-3739937
  • GSK 3739937 [WHO-DD]
  • VH3739937
  • VH-3739937
  • 2122781-86-4
  • DA-59263
  • HY-147424
  • CS-0564186
  • D12944
  • A974522
  • (1S)-1-(((3-Cyanopyridin-2-yl)oxy)methyl)-4-(17-((2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)ethyl)amino)-28-norlupa-2,20(29)-dien-3-yl)cyclohex-3-ene-1-carboxylic acid
  • (1S)-1-{[(3-cyanopyridin-2-yl)oxy]methyl}-4-[17-{[2-(1,1-dioxo-1lambda-thiomorpholin-4-yl)ethyl]amino}-28-norlupa-2,20(29)-dien-3-yl]cyclohex-3-ene-1-carboxylic acid
  • (1S)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-[(3-cyano-2-pyridyl)oxymethyl]cyclohex-3-ene-1-carboxylic acid
  • (1S)-4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]-1-[(3-cyanopyridin-2-yl)oxymethyl]cyclohex-3-ene-1-carboxylic acid
  • (S)-1-(((3-Cyanopyridin-2-yl)oxy)methyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-((2-(1,1-dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)cyclohex-3-ene-1-carboxylic acid
  • 2570811-78-6
  • 3-Cyclohexene-1-carboxylic acid, 1-(((3-cyano-2-pyridinyl)oxy)methyl)-4-(17-((2-(1,1-dioxido-4-thiomorpholinyl)ethyl)amino)-28-norlupa-2,20(29)-dien-3-yl)-, (1S)-
  • 3-Cyclohexene-1-carboxylic acid, 1-[[(3-cyano-2-pyridinyl)oxy]methyl]-4-[17-[[2-(1,1-dioxido-4-thiomorpholinyl)ethyl]amino]-28-norlupa-2,20(29)-dien-3-yl]-, (1S)-
  • 859-868-1