2-[[(1S)-2-(3-benzylimidazol-4-yl)-1-carboxyethyl]amino]butanoic acid

• 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: 2-[[(1S)-2-(3-benzylimidazol-4-yl)-1-carboxyethyl]amino]butanoic acid
• 化学式: C₁₇H₂₁N₃O₄
• 分子量: 331.371
• InChiKey: APSVZFVFSGXPEC-LOACHALJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzyl pyruvate 、 3-Benzyl-N-t-butoxycarbonyl-L-histidine methyl ester 在 盐酸 、 三乙酰氧基硼氢化钠 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 1,2-二氯乙烷 、 甲醇 为溶剂， 生成 2-[[(1S)-2-(3-benzylimidazol-4-yl)-1-carboxyethyl]amino]butanoic acid
  参考文献：
  名称：

  Substrate-Based Design of the First Class of Angiotensin-Converting Enzyme-Related Carboxypeptidase (ACE2) Inhibitors

  摘要：

  Angiotensin-converting enzyme-related carboxypeptidase (ACE2) is a recently identified zinc metalloprotease with carboxypeptidase activity that was identified using our genomics platform. We implemented a rational design approach to identify potent and selective ACE2 inhibitors. To this end, picomolar inhibitors of ACE2 were designed and synthesized.

  DOI：

  10.1021/ja0277226

文献信息

• ACE-2 modulating compounds and methods of use thereof
  申请人：——

  公开号：US20040082496A1

  公开（公告）日：2004-04-29

  ACE-2 modulating compounds for the treatment of body weight disorders are disclosed. Methods of using the compounds and pharmaceutical compositions containing the compounds are also claimed.

  抗ACE-2调节化合物用于治疗体重失调的方法已被披露。还声称了使用这些化合物的方法和含有这些化合物的药物组合物。
• Substrate-Based Design of the First Class of Angiotensin-Converting Enzyme-Related Carboxypeptidase (ACE2) Inhibitors
  作者：Natalie A. Dales、Alexandra E. Gould、James A. Brown、Emily F. Calderwood、Bing Guan、Charles A. Minor、James M. Gavin、Paul Hales、Virendar K. Kaushik、Michael Stewart、Peter J. Tummino、Chad S. Vickers、Timothy D. Ocain、Michael A. Patane

  DOI：10.1021/ja0277226

  日期：2002.10.1

  Angiotensin-converting enzyme-related carboxypeptidase (ACE2) is a recently identified zinc metalloprotease with carboxypeptidase activity that was identified using our genomics platform. We implemented a rational design approach to identify potent and selective ACE2 inhibitors. To this end, picomolar inhibitors of ACE2 were designed and synthesized.