4-(2-Hydroxy-3-isopropylaminopropoxy)-1,2-benzisothiazol | 76919-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 4-(2-Hydroxy-3-isopropylaminopropoxy)-1,2-benzisothiazol
• 英文别名: 1-benzo[d]isothiazol-4-yloxy-3-isopropylamino-propan-2-ol；4-(2-hydroxy-3-isopropylamino-propoxy)-1,2-benzisothiazole；2-Propanol, 1-(1,2-benzisothiazol-4-yloxy)-3-[(1-methylethyl)amino]-；1-(1,2-benzothiazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
• CAS: 76919-28-3
• 化学式: C₁₃H₁₈N₂O₂S
• 分子量: 266.364
• InChiKey: JCMBRWFSEQUKDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Renin inhibiting peptides with polar end groups
  申请人：THE UPJOHN COMPANY

  公开号：EP0329295A1

  公开（公告）日：1989-08-23

  The present invention provides novel renin-inhibiting peptides having a noncleavable transition state insert corresponding to the 10,11- position of the renin substrate (angiotensinogen) and a polyhydroxy-substituted alkyl moiety bonded directly through carbon or nitrogen to the N-terminus. Such inhibitors are useful for the diagnosis and control of renin-dependent hypertension and other related diseases.

  本发明提供了具有与肾素底物（血管紧张素原）的10,11-位置对应的不可切割过渡态插入物的新型抑制肾素的肽，以及通过碳或氮直接与N-末端结合的多羟基取代烷基基团。这些抑制剂对于诊断和控制肾素依赖性高血压和其他相关疾病非常有用。
• Renin inhibitors containing histidine replacements
  申请人：Merck & Co., Inc.

  公开号：EP0273696A2

  公开（公告）日：1988-07-06

  Peptides of the formula: which comprises novel elements replacing the His(9) sequence in renin-inhibitory peptides based on substrate analogy, which have improved bioavailability and pharmacodynamic properties; compositions containing these renin-inhibitory peptides, optionally with other antihypertensive agents; and methods of treating hypertension or congestive heart failure or of establishing renin as a causative factor in these problems employing the novel peptides.

  该文描述了一种新的肽类分子，其公式为：其中替代了肾素抑制肽中亮氨酸（9）序列的新元素，基于底物类比，具有改善的生物利用度和药效学特性；包含这些肾素抑制肽的组合物，可选地与其他降压药物一起使用；以及使用这些新肽治疗高血压或充血性心力衰竭或确定肾素作为这些问题的致因因素的方法。
• Renin inhibitors containing phenylalanyl-histidine replacements
  申请人：Merck & Co., Inc.

  公开号：EP0278158A2

  公开（公告）日：1988-08-17

  Peptides of the formula: which comprise novel elements replacing the Phe(8)-His(9) sequence in renin-inhibitory peptides based on substrate analogy, which inhibit the substrate-cleaving action of renin and have improved bioavailability; compositions containing these renin-inhibitory peptides, optionally with other antihypertensive agents; and methods of treating hypertension or congestive heart failure or of establishing renin as a causative factor in these problems which employ the novel peptides.

  式中的肽，其包含的新型元素取代了基于底物类比的肾素抑制肽中的Phe(8)-His(9)序列，可抑制肾素的底物清除作用，并具有更好的生物利用度；含有这些肾素抑制肽的组合物，可选择与其他降压药一起使用；以及治疗高血压或充血性心力衰竭或确定肾素是这些问题的致病因素的方法，其中采用了新型肽。
• Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups
  申请人：Merck & Co., Inc.

  公开号：EP0314239A2

  公开（公告）日：1989-05-03

  Tripeptide enzyme inhibitors of the formula: which have N-terminal ureas or sulfamides incorporating polar groups, and analogs thereof, which inhibit renin and are useful for treating various forms of renin-associated hypertension and congestive heart failure; compositions containing these renin-inhibitory peptides, optionally with other antihypertensive agents; and methods of treating hypertension or congestive heart failure or of establishing renin as a causative factor in these problems which employ the novel tripeptides.

  式的三肽酶抑制剂： N-末端含有极性基团的脲或氨基磺酸盐及其类似物，可抑制肾素，用于治疗各种形式的肾素相关性高血压和充血性心力衰竭；含有这些肾素抑制肽的组合物，可选择与其他降压药一起使用；以及治疗高血压或充血性心力衰竭或确定肾素是这些问题的致病因素的方法，其中采用了新型三肽。
• Tetrapeptide renin inhibitors having a novel c-terminal amino acid
  申请人：Merck & Co., Inc.

  公开号：EP0312157A2

  公开（公告）日：1989-04-19

  Tetrapeptide enzyme inhibitors of the formula: and analogs thereof which inhibit renin and are useful for treating various forms of renin-associated hypertension, hyperaldosteronism and congestive heart failure; compositions containing these renin-inhibj- tory peptides, optionally with other antihypertensive agents; and methods of treating hypertension, hyperaldosteronism or congestive heart failure or of establishing renin as a causative factor in these problems employing the novel tetrapeptides.

  式中的四肽酶抑制剂： 及其类似物，它们能抑制肾素，可用于治疗各种形式的肾素相关性高血压、高醛固酮症和充血性心力衰竭；含有这些肾素抑制肽的组合物，可选择与其他降压药一起使用；以及利用新型四肽治疗高血压、高醛固酮症或充血性心力衰竭或确定肾素是这些问题的致病因素的方法。