N-(2-Mercapto-ethyl)-malonamic acid | 80900-79-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(2-Mercapto-ethyl)-malonamic acid
• 英文别名: Propanoic acid, 3-[(2-mercaptoethyl)amino]-3-oxo-；3-oxo-3-(2-sulfanylethylamino)propanoic acid
• CAS: 80900-79-4
• 化学式: C₅H₉NO₃S
• 分子量: 163.197
• InChiKey: OQXFGOHJVMBEMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  67.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 N-(2-Mercapto-ethyl)-malonamic acid 、 、 氨 在 乙酸乙酯 作用下， 反应 1.0h， 以27 g of N-(2-mercaptoethyl)malonamide were obtained in the form of a white solid with a melting point of 100° C.的产率得到N-(2-mercaptoethyl)malonamide
  参考文献：
  名称：

  Cosmetic composition containing an N-mercaptoalkylalkanediamide or one

  摘要：

  一种用于永久改变头发形态操作的第一步的化妆品组合物，该组合物包含一种N-巯基烷基烷二酰胺或其在美容上可接受的盐中的还原剂，包括新的N-巯基烷基烷二硫化物和新的N-巯基烷基烷二酰胺，并用于头发永久改变形态的过程中。

  公开号：

  US05985257A1
• 作为产物：
  描述：

  N-(2-Mercapto-ethyl)-malonamic acid ethyl ester 在 sodium hydroxide 作用下， 反应 4.0h， 以64%的产率得到N-(2-Mercapto-ethyl)-malonamic acid
  参考文献：
  名称：

  Angiotensin-converting enzyme inhibitors: importance of the amide carbonyl of mercaptoacyl amino acids for hydrogen bonding to the enzyme

  摘要：

  A series of mercaptoacyl amino acids and related compounds was synthesized and evaluated for inhibition of angiotensin-converting enzyme (ACE) in order to determine the nature and importance of the putative interaction between ACE and the amide moiety of inhibitors such as captopril (3-mercapto-2-methylpropanoyl-L-proline). It was concluded that the interaction involves a hydrogen bond from a donor site on ACE to the oxygen of the amide carbonyl. Compounds in which the amide moiety is replaced by other groups (ester, ketone, sulfonamide) capable of accepting a hydrogen bond are effective inhibitors, but compounds in which only the geometrical features of the amide are retained are ineffective inhibitors. The presence of an NH group is not necessary for effective inhibition. The activity of a series of mercaptoacyl cycloalkyl carboxylic acids parallels the activity of the isosteric series of mercaptoacyl imino acids.

  DOI：

  10.1021/jm00345a011

文献信息

• Cosmetic composition containing an n-mercaptoalkylalkanediamide or one
  申请人：L'Oreal

  公开号：US05843416A1

  公开（公告）日：1998-12-01

  A cosmetic composition for the first step of an operation for the permanent deformation of hair, the composition containing an N-mercaptoalkylalkanediamide or one of its cosmetically acceptable salts as a reducing agent, including new N-mercaptoalkylalkanediamide disulphides and new N-mercaptoalkylalkanediamides, and its use in a process for the permanent deformation of hair.

  一种用于永久改变发型的化妆品组合物，包含N-巯基烷基烷二酰胺或其化妆品可接受的盐作为还原剂的第一步操作，包括新的N-巯基烷基烷二酰胺二硫化物和新的N-巯基烷基烷二酰胺，以及其在永久改变发型的过程中的使用。