4-chloro-α-<((R,S)-acetylthio)methyl>benzenepropanoic acid | 115355-27-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 4-chloro-α-<((R,S)-acetylthio)methyl>benzenepropanoic acid
• 英文别名: 3-acetylthio-2-(4-chlorobenzyl)-propionic acid；2-(acetylsulfanylmethyl)-3-(4-chlorophenyl)propanoic acid
• CAS: 115355-27-6
• 化学式: C₁₂H₁₃ClO₃S
• 分子量: 272.752
• InChiKey: BNICSELQITXCLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-α-<((R,S)-acetylthio)methyl>benzenepropanoic acid 在 N-甲基吗啉 、 sodium hydroxide 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成
  参考文献：
  名称：

  Mercaptoacyl aminoacid inhibitors of atriopeptidase. 1. Structure-activity relationship studies of methionine and S-alkylcysteine derivatives

  摘要：

  A broad series of N-(3-mercaptoacyl) amino acid derivatives was evaluated for their ability to inhibit atriopeptidase (neutral endopeptidase, EC 3.4.24.11) in vitro and in vivo. Structural parameters studied were (i) the substituent on the 2-position of the 3-mercaptopropionyl moiety, (ii) the amino acid component, (iii) the S-terminal derivative, and (iv) the C-terminal derivative. Optimum activity was observed for derivatives of methionine and S-alkylcysteines. N-[3-Mercapto-2(S)-[(2-methylphenyl)methyl]-1-oxopropyl]-L-methionine was identified as a highly effective inhibitor of atriopeptidase meriting evaluation as a potential cardiovascular therapeutic agent.

  DOI：

  10.1021/jm00041a026
• 作为产物：
  描述：

  [(4-氯苯基)甲基]丙二酸 在 二甲胺 作用下， 以 二氯甲烷 为溶剂， 反应 70.0h， 生成 4-chloro-α-<((R,S)-acetylthio)methyl>benzenepropanoic acid
  参考文献：
  名称：

  Mercaptoacyl aminoacid inhibitors of atriopeptidase. 1. Structure-activity relationship studies of methionine and S-alkylcysteine derivatives

  摘要：

  A broad series of N-(3-mercaptoacyl) amino acid derivatives was evaluated for their ability to inhibit atriopeptidase (neutral endopeptidase, EC 3.4.24.11) in vitro and in vivo. Structural parameters studied were (i) the substituent on the 2-position of the 3-mercaptopropionyl moiety, (ii) the amino acid component, (iii) the S-terminal derivative, and (iv) the C-terminal derivative. Optimum activity was observed for derivatives of methionine and S-alkylcysteines. N-[3-Mercapto-2(S)-[(2-methylphenyl)methyl]-1-oxopropyl]-L-methionine was identified as a highly effective inhibitor of atriopeptidase meriting evaluation as a potential cardiovascular therapeutic agent.

  DOI：

  10.1021/jm00041a026

文献信息

• .beta.-mercapto-propanamide derivatives useful in the treatment of
  申请人：Zambon Group S.p.A.

  公开号：US05506259A1

  公开（公告）日：1996-04-09

  Compounds of formula ##STR1## wherein R, R.sub.1, R.sub.2, Het and n have the meanings reported in the description, processes for their preparation and pharmaceutical compositions which contain them as active ingredients are described. The compounds of formula I are useful in the treatment of cardiovascular diseases.

  本文描述了公式##STR1##中的化合物，其中R、R.sub.1、R.sub.2、Het和n的含义如描述中所述，以及它们的制备过程和包含它们作为活性成分的药物组合物。公式I中的化合物在治疗心血管疾病方面是有用的。
• Neutral metalloendopeptidase inhibitors in the treatment of hypertension
  申请人：SCHERING CORPORATION

  公开号：EP0254032A2

  公开（公告）日：1988-01-27

  The method of treating hypertension with neutral metalloendopeptidase (NMEP) inhibitors, NMEP inhibitors in combination with atrial peptides, and NMEP inhibitors in combination with angiotensin converting enzyme inhibitors, as well as pharmaceutical compositions therefor, are disclosed.

  本研究公开了使用中性金属内肽酶（NMEP）抑制剂、NMEP 抑制剂与心房肽联合使用、NMEP 抑制剂与血管紧张素转换酶抑制剂联合使用治疗高血压的方法及其药物组合物。
• Beta-mercapto-propanamide derivatives useful in the treatment of cardiovascular diseases
  申请人：ZAMBON GROUP S.p.A.

  公开号：EP0636621B1

  公开（公告）日：1997-03-12
• US4801609A
  申请人：——

  公开号：US4801609A

  公开（公告）日：1989-01-31
• US4929641A
  申请人：——

  公开号：US4929641A

  公开（公告）日：1990-05-29