1217629-70-3

• 常用中文名：Nelfinavir-d3
• 常用英文名：Nelfinavir-d3
• CAS号：1217629-70-3
• 分子式：C₃₂H₄₅N₃O₄S
• 分子量：567.782
• 相关类别： 信号通路 抗感染 HIV
• 发布时间：2021-06-02 22:48:01
• 更新时间：2023-02-02 19:00:57
• 奈非那韦d3(AG1341-d3)是氘标记的奈非那韦。奈非那韦(AG-1341)是一种有效的口服生物利用的HIV-1蛋白酶抑制剂(Ki=2nm),用于治疗HIV感染。奈非那韦是一种广谱抗癌药物[1][2][3]。

名称

• 英文名: Nelfinavir-d3
• 英文别名: (3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide; HO3OGH5D7I; (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-{(E)-[hydroxy(3-hydroxy-2-methylphenyl)methylene]amino}-4-(phenylsulfanyl)butyl]-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboximidic acid; 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)-; Nelfinavir; [3S-[2(2S*,3S*),3a,4ab,8ab]]-N-(1,1-Dimethylethyl)decahydro-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide; [3S-(3R*,4aR*,8aR*,2'S*,3'S*)]-2-[2'-hydroxy-3'-phenylthiomethyl-4'-aza-5'-oxo-5'-(2''-methyl-3''-hydroxyphenyl)pentyl]decahydroisoquinoline-3-N-t-butylcarboxamide; (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]-N-(2-methyl-2-propanyl)decahydro-3-isoquinolinecarboxamide; 3-Isoquinolinecarboximidic acid, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[[(1E)-hydroxy(3-hydroxy-2-methylphenyl)methylene]amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)-; MFCD01938163

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 786.8±60.0 °C at 760 mmHg
• 分子式: C₃₂H₄₅N₃O₄S
• 分子量: 567.782
• 闪点: 429.7±32.9 °C
• 精确质量: 567.313049
• LogP: 6.98
• 蒸汽压: 0.0±2.9 mmHg at 25°C
• 折射率: 1.619

生物活性

• 描述: 奈非那韦d3(AG1341-d3)是氘标记的奈非那韦。奈非那韦(AG-1341)是一种有效的口服生物利用的HIV-1蛋白酶抑制剂(Ki=2nm),用于治疗HIV感染。奈非那韦是一种广谱抗癌药物[1][2][3]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 抗感染 >> HIV
  研究领域 >> 感染
  信号通路 >> 代谢酶/蛋白酶 >> HIV蛋白酶
• 体外研究: 氢、碳和其他元素的稳定重同位素已被纳入药物分子,主要作为药物开发过程中定量的示踪剂。氘化因其可能影响药物的药代动力学和代谢特征而受到关注[1]。
• 参考文献:

  [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

  [2]. Mondal D, et al. Nelfinavir suppresses signaling and nitric oxide production by human aortic endothelial cells: protective effects of thiazolidinediones. Ochsner J. 2013 Spring;13(1):76-90.

  [3]. Gills JJ, et al. Nelfinavir, A lead HIV protease inhibitor, is a broad-spectrum, anticancer agent that inducesendoplasmic reticulum stress, autophagy, and apoptosis in vitro and in vivo. Clin Cancer Res. 2007 Sep 1;13(17):5183-94.

  [4]. Kaldor SW, et al. Nelfinavir mesylate (AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease. J Med Chem. 1997 Nov 21;40(24):3979-85.

  [5]. Bono C, et al. The human immunodeficiency virus-1 protease inhibitor nelfinavir impairs proteasome activity and inhibits the proliferation of multiple myeloma cells in vitro and in vivo. Haematologica. 2012;97(7):1101‐1109.

  [6]. Qi Sun, et al. Bardoxolone and bardoxolone methyl, two Nrf2 activators in clinical trials, inhibit SARS-CoV-2 replication and its 3C-like protease. Signal Transduct Target Ther. 2021 May 29;6(1):212.