192725-39-6

• 常用中文名：Lopinavir Metabolite M-1
• 常用英文名：Lopinavir Metabolite M-1
• CAS号：192725-39-6
• 分子式：C₃₇H₄₆N₄O₆
• 分子量：642.78400
• 相关类别： 信号通路 代谢酶/蛋白酶 HIV蛋白酶
• 发布时间：2016-02-06 13:41:35
• 更新时间：2025-08-27 20:16:36
• Lopinavir Metabolite M-1 是 Lopinavir 的活性代谢产物,以 0.7 pM 的 Ki 值抑制 HIV 蛋白酶。Lopinavir Metabolite M-1 在体外具有抗病毒活性。

名称

• 英文名: Lopinavir Metabolite M-1
• 英文别名: (2S,3S,5S)-2-(2,6-dimethylphenoxyacetyl)amino-3-hydroxy-5-(2S-(1-tetrahydropyrimid-2,4-dionyl)-3-methyl-butanoyl)amino-1,6-diphenylhexane; (aS)-N-[(1S,3S,4S)-4-[[(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-a-(1-methylethyl)-2,4-dioxo-1(2H)-Pyrimidineacetami-de; (aS)-N-[(1S,3S,4S)-4-[[(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-a-(1-methylethyl)-2,4-dioxo-1(2H)-Pyrimidineacetami- d; 4-Oxo-ABT-378

物化性质

• 分子式: C₃₇H₄₆N₄O₆
• 分子量: 642.78400
• 精确质量: 642.34200
• PSA: 137.07000
• LogP: 5.63440
• 折射率: 1.582

生物活性

• 描述: Lopinavir Metabolite M-1 是 Lopinavir 的活性代谢产物,以 0.7 pM 的 Ki 值抑制 HIV 蛋白酶。Lopinavir Metabolite M-1 在体外具有抗病毒活性。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 代谢酶/蛋白酶 >> HIV蛋白酶
• 靶点:

  IC50: 0.7 pM (HIV Protease)[1]

• 体外研究: 洛比那韦代谢产物M-1对MT-4细胞具有抗病毒活性,EC50为1.413μM[1]。
• 参考文献:

  [1]. Sham HL, et, al. Synthesis and antiviral activities of the major metabolites of the HIV protease inhibitor ABT-378 (Lopinavir). Bioorg Med Chem Lett. 2001 Jun 4; 11(11): 1351-3.

  [2]. Kumar GN, et, al. Potent inhibition of the cytochrome P-450 3A-mediated human liver microsomal metabolism of a novel HIV protease inhibitor by ritonavir: A positive drug-drug interaction. Drug Metab Dispos. 1999 Aug; 27(8): 902-8.

合成路线

192725-89-6 192725-49-8 ~81% 192725-39-6

文献：Sham, Hing L; Betebenner, David A; Herrin, Thomas; Kumar, Gondi; Saldivar, Ayda; Vasavanonda, Sudthida; Molla, Akhter; Kempf, Dale J; Plattner, Jacob J; Norbeck, Daniel W Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 11 p. 1351 - 1353

13211-31-9 ~% 192725-39-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1351 - 1353

13335-71-2 ~% 192725-39-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1351 - 1353

192725-86-3 ~% 192725-39-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1351 - 1353

192725-87-4 ~% 192725-39-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1351 - 1353

192725-88-5 ~% 192725-39-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1351 - 1353

上下游产品

上游产品  6
192725-49-8 13211-31-9 13335-71-2 192725-86-3
192725-87-4 192725-88-5
下游产品  0