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138483-63-3

138483-63-3结构式
138483-63-3结构式
  • 常用中文名:L-689502
  • 常用英文名:L-689502
  • CAS号:138483-63-3
  • 分子式:C39H51N3O7
  • 分子量:673.83800
  • 相关类别: 信号通路 代谢酶/蛋白酶 HIV蛋白酶
  • 发布时间:2017-04-09 06:11:23
  • 更新时间:2024-01-27 02:11:43
  • L-689502 是一个有效的 HIV-1 蛋白酶 (HIV-l protease) 抑制剂,其 IC50 值为 1 nM。

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中文名 L-689502
英文名 tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
英文别名 Des-3-pyridylmethyl Indinavir
(2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide
[14C]-N-Dealkyl Indinavir
N-(2(R)-hydroxy-1(S)-indanyl)-2(R)-phenylmethyl-4(S)-hydroxy-5-(1-(2(S)-N-(tert-butylcarboxamido)piperazinyl))pentanamide
N-(2(R)-hydroxy-1(S)-indanyl)-5(S)-[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-({4-[2-(4-morpholinyl)ethoxy]phenyl}methyl)hexanamide
(1S,2R,2'R,4'S,2"S)-1-((2-benzyl-5-(((2-(t-butyl)amino)carbonyl)piperazin-1-yl)-4-hydroxypentanoyl)amino)indan-2-ol
indinavir penultimate
2,3,5-Trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-(phenylmethyl)-D-erythro-pentonamide
N-(2(R)-hydroxy-1(S)-indanyl)-5(S)-(1,1-dimethylethoxycarbonyl)amino-4(S)-hydroxy-6-phenyl-2(R)-(4-(2-(4-morpholinyl)ethoxy)phenyl)methyl hexanamide
L-689502
描述 L-689502 是一个有效的 HIV-1 蛋白酶 (HIV-l protease) 抑制剂,其 IC50 值为 1 nM。
相关类别
靶点

IC50: 1 nM (HIV-l protease)[1]

体外研究 L694746和L-689502均以浓度依赖性方式抑制HIV-1蛋白酶活性。胃蛋白酶抑制剂的效力远低于显示IC50为2μM的任一化合物。 L694746在抑制HIV-1蛋白酶方面与L-689502一样有效,尽管其结构与L-689502不同[1]。
细胞实验 将G689502(在1mL的100%DMSO中的3.3pmole)加入已经生长48小时的培养物中。发酵期间的最终底物和DMSO浓度分别为65pM和2%。含有L-689502的发酵在收获前再进行72-96小时。用甲醇(0.5体积)和丙酮(0.5体积)将全发酵液进行间歇萃取。含有L-689502衍生物的上清液通过过滤从菌丝体中分离[1]。
参考文献

[1]. Lingham RB, et al. HIV-1 protease inhibitory activity of L-694,746, a novel metabolite of L-689,502. Biochem Biophys Res Commun. 1991 Dec 31;181(3):1456-61.

密度 1.24g/cm3
沸点 886.9ºC at 760 mmHg
分子式 C39H51N3O7
分子量 673.83800
闪点 490.2ºC
精确质量 673.37300
PSA 136.57000
LogP 5.20040
蒸汽压 9.83E-34mmHg at 25°C
折射率 1.615
储存条件 2-8℃

~99%

138483-63-3结构式

138483-63-3

文献:Thompson; Fitzgerald; Holloway; Emini; Darke; McKeever; Schleif; Quintero; Zugay; Tucker; Schwering; Homnick; Nunberg; Springer; Huff Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1685 - 1701

~%

138483-63-3结构式

138483-63-3

文献:Thompson; Fitzgerald; Holloway; Emini; Darke; McKeever; Schleif; Quintero; Zugay; Tucker; Schwering; Homnick; Nunberg; Springer; Huff Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1685 - 1701

~%

138483-63-3结构式

138483-63-3

文献:Thompson; Fitzgerald; Holloway; Emini; Darke; McKeever; Schleif; Quintero; Zugay; Tucker; Schwering; Homnick; Nunberg; Springer; Huff Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1685 - 1701

~%

138483-63-3结构式

138483-63-3

文献:Thompson; Fitzgerald; Holloway; Emini; Darke; McKeever; Schleif; Quintero; Zugay; Tucker; Schwering; Homnick; Nunberg; Springer; Huff Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1685 - 1701

~%

138483-63-3结构式

138483-63-3

文献:Thompson; Fitzgerald; Holloway; Emini; Darke; McKeever; Schleif; Quintero; Zugay; Tucker; Schwering; Homnick; Nunberg; Springer; Huff Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1685 - 1701

~%

138483-63-3结构式

138483-63-3

文献:Thompson; Fitzgerald; Holloway; Emini; Darke; McKeever; Schleif; Quintero; Zugay; Tucker; Schwering; Homnick; Nunberg; Springer; Huff Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1685 - 1701

~%

138483-63-3结构式

138483-63-3

文献:Askin, D.; Wallace, M. A.; Vacca, J. P.; Reamer, R. A.; Volante, R. P.; Shinkai, I. Journal of Organic Chemistry, 1992 , vol. 57, # 10 p. 2771 - 2773

~%

138483-63-3结构式

138483-63-3

文献:Askin, D.; Wallace, M. A.; Vacca, J. P.; Reamer, R. A.; Volante, R. P.; Shinkai, I. Journal of Organic Chemistry, 1992 , vol. 57, # 10 p. 2771 - 2773

~%

138483-63-3结构式

138483-63-3

文献:Askin, D.; Wallace, M. A.; Vacca, J. P.; Reamer, R. A.; Volante, R. P.; Shinkai, I. Journal of Organic Chemistry, 1992 , vol. 57, # 10 p. 2771 - 2773
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