(S)-tert-butyl (1-((2-methoxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate | 1379465-14-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-tert-butyl (1-((2-methoxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
• CAS: 1379465-14-1
• 化学式: C₂₁H₂₆N₂O₄
• 分子量: 370.448
• InChiKey: YNXFTCWEYRCDLS-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.66
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl (1-((2-methoxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (2S)-2-amino-N-(2-methoxyphenyl)-3-phenylpropanamide
  参考文献：
  名称：

  SAR and Lead Optimization of an HIV-1 Vif-APOBEC3G Axis Inhibitor

  摘要：

  We describe structure activity relationship and optimization studies of RN-18, an HIV-1 Vif-APOBEC3G axis inhibitor. Targeted modifications of RN-18 ring C, ring B, ring A, bridge A B, and bridge B C were performed to identify the crucial structural features, which generated new inhibitors with similar (4g and 4i) and improved (5, 8b, and 11) activities. Two potent water-soluble RN-18 analogues, 17 and 19, are also disclosed, and we describe the results of pharmacological studies with compound 19. The findings described here will be useful in the development of more potent Vif inhibitors and in the design of probes to identify the target protein of RN-18 and its analogues.

  DOI：

  10.1021/ml300037k
• 作为产物：
  描述：

  BOC-L-苯丙氨酸 、 邻甲氧基苯胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 5.0h， 以83%的产率得到(S)-tert-butyl (1-((2-methoxyphenyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate
  参考文献：
  名称：

  SAR and Lead Optimization of an HIV-1 Vif-APOBEC3G Axis Inhibitor

  摘要：

  We describe structure activity relationship and optimization studies of RN-18, an HIV-1 Vif-APOBEC3G axis inhibitor. Targeted modifications of RN-18 ring C, ring B, ring A, bridge A B, and bridge B C were performed to identify the crucial structural features, which generated new inhibitors with similar (4g and 4i) and improved (5, 8b, and 11) activities. Two potent water-soluble RN-18 analogues, 17 and 19, are also disclosed, and we describe the results of pharmacological studies with compound 19. The findings described here will be useful in the development of more potent Vif inhibitors and in the design of probes to identify the target protein of RN-18 and its analogues.

  DOI：

  10.1021/ml300037k