Nelfinavir-d3

• 常用名: Nelfinavir-d3
• 英文名: Nelfinavir-d3
• CAS号: 1217629-70-3
• 分子量: 567.782
• 密度: 1.2±0.1 g/cm3
• 沸点: 786.8±60.0 °C at 760 mmHg
• 分子式: C₃₂H₄₅N₃O₄S
• 熔点: N/A
• 闪点: 429.7±32.9 °C

Nelfinavir-d3用途

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]。

Nelfinavir-d3名称

• 英文名: Nelfinavir-d3

Nelfinavir-d3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.

Nelfinavir-d3物理化学性质

• 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
• InChIKey: QAGYKUNXZHXKMR-VWGNXJLPSA-N
• SMILES: Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C
• 蒸汽压: 0.0±2.9 mmHg at 25°C
• 折射率: 1.619

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
• 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
• MFCD01938163