(4S)-3-<(2R)-2-<(tert-butyloxycarbonyl)methyl>-3-phenylpropionyl>-4-(2-propyl)oxazolidin-2-one | 116129-79-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (4S)-3-<(2R)-2-<(tert-butyloxycarbonyl)methyl>-3-phenylpropionyl>-4-(2-propyl)oxazolidin-2-one
• 英文别名: 1,1-dimethylethyl (S)4-(1-methylethyl)-gamma,2-dioxo-(R)beta-(phenylmethyl)-3-oxazolidinebutanoate；(4S)-3-{(2R)-2-[(tert-butyloxycarbonyl)methyl]-3-phenylpropionyl}-4-(2-propyl)oxazolidin-2-one；tert-butyl (3R)-3-benzyl-4-oxo-4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
• CAS: 116129-79-4
• 化学式: C₂₁H₂₉NO₅
• 分子量: 375.465
• InChiKey: HDMFTJMBARXBCS-IAGOWNOFSA-N

物化性质

• 沸点：
  514.7±50.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4S)-3-<(2R)-2-<(tert-butyloxycarbonyl)methyl>-3-phenylpropionyl>-4-(2-propyl)oxazolidin-2-one 在 lithium hydroxide 、 双氧水 、 碳酸氢钠 、 sodium sulfite 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (R)-2-苄基丁二酸 4-叔丁酯
  参考文献：
  名称：

  Renin inhibitors

  摘要：

  含有单个α-氨基酸的抑制肾素化合物的翻译：##STR1##及其类似物，这些化合物抑制肾素的底物裂解作用，含有这些化合物的药物组合物，生产这些化合物的方法以及使用新型肾素抑制剂治疗高血压的方法。

  公开号：

  US05104869A1
• 作为产物：
  描述：

  (S)-4-异丙基-2-唑烷酮 在 正丁基锂 、 sodium hexamethyldisilazane 作用下， 反应 3.83h， 生成 (4S)-3-<(2R)-2-<(tert-butyloxycarbonyl)methyl>-3-phenylpropionyl>-4-(2-propyl)oxazolidin-2-one
  参考文献：
  名称：

  Renin inhibitors. Dipeptide analogs of angiotensinogen utilizing a structurally modified phenylalanine residue to impart proteolytic stability

  摘要：

  A series of renin inhibitors have been prepared and evaluated for their susceptibility to cleavage by the serine protease chymotrypsin. The compounds were designed by consideration of the structural requirements in the active-site region of renin and chymotrypsin. By systematic alteration of the P3 phenylalanine residue, compounds with varying degrees of renin inhibitory potency and chymotrypsin susceptibility were obtained. Selected analogues from this group were examined in vivo for both their hypotensive effects and metabolic patterns.

  DOI：

  10.1021/jm00120a006

文献信息

• Renin inhibitors. Dipeptide analogs of angiotensinogen utilizing a structurally modified phenylalanine residue to impart proteolytic stability
  作者：Jacob J. Plattner、Patrick A. Marcotte、Hollis D. Kleinert、Herman H. Stein、Jonathan Greer、Giorgio Bolis、Anthony K. L. Fung、Barbara A. Bopp、Jay R. Luly

  DOI：10.1021/jm00120a006

  日期：1988.12

  A series of renin inhibitors have been prepared and evaluated for their susceptibility to cleavage by the serine protease chymotrypsin. The compounds were designed by consideration of the structural requirements in the active-site region of renin and chymotrypsin. By systematic alteration of the P3 phenylalanine residue, compounds with varying degrees of renin inhibitory potency and chymotrypsin susceptibility were obtained. Selected analogues from this group were examined in vivo for both their hypotensive effects and metabolic patterns.
• Renin inhibitors
  申请人：American Cyanamid Company

  公开号：US05104869A1

  公开（公告）日：1992-04-14

  Renin inhibiting compounds containing a single .alpha.-amino acid of the formula: ##STR1## and analogs thereof which inhibit the substrate-cleaving acting or renin, pharmaceutical compositions containing these compounds, processes for producing the compounds and methods of treating hypertension which employ the novel renin inhibitors.

  含有单个α-氨基酸的抑制肾素化合物的翻译：##STR1##及其类似物，这些化合物抑制肾素的底物裂解作用，含有这些化合物的药物组合物，生产这些化合物的方法以及使用新型肾素抑制剂治疗高血压的方法。