(S)-2-amino-3-[3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl]Propionic Acid Methyl Ester | 790201-42-2

• 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)-2-amino-3-[3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl]Propionic Acid Methyl Ester
• 英文别名: methyl (2S)-2-amino-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]propanoate
• CAS: 790201-42-2
• 化学式: C₁₄H₁₅Cl₂N₃O₂
• 分子量: 328.198
• InChiKey: SBHADNCORJSYFN-ZDUSSCGKSA-N

物化性质

• 沸点：
  485.8±40.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-2-amino-3-[3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl]Propionic Acid Methyl Ester 在 sodium hydroxide 作用下， 以 乙醇 、 1,2-二氯乙烷 为溶剂， 反应 25.0h， 生成 (2S)-2-[[(2S)-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic 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
• 作为产物：
  描述：

  3,5-二氯苯甲醇 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 (S)-2-amino-3-[3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl]Propionic Acid Methyl Ester
  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。
• NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE
  申请人：Partridge John Joseph

  公开号：US20110319461A1

  公开（公告）日：2011-12-29

  The present invention relates to a process for producing 2-[1-(S)-carboxy-2(S)-[3-(3,5-dichloro-benzyl)-3H-imidazol-4-yl]-ethylamino]-4-methyl-pentanoic acid, as well as novel salts, including hydrates and solvates thereof, and novel crystalline and amorphous forms thereof.

  本发明涉及一种生产2-[1-(S)-羧基-2(S)-[3-(3,5-二氯苄基)-3H-咪唑-4-基]-乙基氨基]-4-甲基-戊酸的方法，以及其新型盐，包括水合物和溶剂化合物，以及其新型晶体和非晶形式。
• US7045532B2
  申请人：——

  公开号：US7045532B2

  公开（公告）日：2006-05-16
• [EN] ACE-2 MODULATING COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSES MODULANT ACE-2 ET PROCEDES D'UTILISATION ASSOCIES
  申请人：MILLENNIUM PHARM INC

  公开号：WO2002039997A2

  公开（公告）日：2002-05-23

  ACE-2 modulating compounds for the treatment of body disorders are disclosed. Methods of using the compounds and pharmaceutical compositiosn containing the compounds are also claimed.
• [EN] NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE<br/>[FR] NOUVEAUX SELS, POLYMORPHES, ET PROCÉDÉS DE SYNTHÈSE D'UN DÉRIVÉ D'IMIDAZOLE
  申请人：ORE PHARMACEUTICALS INC

  公开号：WO2011088075A2

  公开（公告）日：2011-07-21

  The present invention relates to a process for producing 2-[1-(S)-carboxy-2(S)-[3- (3,5-dichloro-benzyl)-3H-imidazol-4-yl]-ethylamino]-4-methyl-pentanoic acid, as well as novel salts, including hydrates and solvates thereof, and novel crystalline and amorphous forms thereof.