N-(3-巯基-2-甲基丙烷酰基)甘氨酸 | 89021-98-7

• 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
• 中文名称: N-(3-巯基-2-甲基丙烷酰基)甘氨酸
• 中文别名: (8S)-5,6,7,8-四氢-8-喹啉胺
• 英文名称: DA 12
• 英文别名: N-(2-mercaptopropionyl)glycine；(PG)SH；2-N-[mercapto-2-methyl-1-oxopropyl]aminoacetic acid；N-(3-mercapto-2-methylpropanoyl)glycine；2-[(2-methyl-3-sulfanylpropanoyl)amino]acetic acid
• CAS: 89021-98-7
• 化学式: C₆H₁₁NO₃S
• mdl: MFCD09835579
• 分子量: 177.224
• InChiKey: VXOCIBBWDLKODX-UHFFFAOYSA-N

物化性质

• 熔点：
  115-1170C
• 溶解度：
  甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  67.4
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  chloroauric acid 、 N-(3-巯基-2-甲基丙烷酰基)甘氨酸 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 Au25*18(N-(2-mercaptopropionyl)glycine-1H) 、 Au23*16(N-(2-mercaptopropionyl)glycine-1H) 、 Au18*14(N-(2-mercaptopropionyl)glycine-1H)
  参考文献：
  名称：

  Kinetic Stabilization of Growing Gold Clusters by Passivation with Thiolates

  摘要：

  Small gold clusters (<1 nm), protected by monolayers of glutathione, N-(2-mercaptopropionyl)glycine, or mercaptosuccinic acid, were prepared by reducing the corresponding Au(I)-thiolate polymers and were fractionated by size using polyacrylamide gel electrophoresis (PAGE). Mass analysis of the fractionated clusters revealed that their core sizes varied with the molecular structures of the thiolates. This finding indicates that the reduction of the Au(I)-thiolate polymers yields small clusters whose growth is kinetically hindered by passivation with thiolates. Optical spectra of the clusters with identical compositions exhibited different profiles depending on the thiolate molecular structures. This observation implies that deformation of the underlying gold cores is induced by interligand interactions.

  DOI：

  10.1021/jp062140m
• 作为产物：
  描述：

  (3-Acetylsulfanyl-2-methyl-propionylamino)-acetic acid 在 氨 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以92%的产率得到N-(3-巯基-2-甲基丙烷酰基)甘氨酸
  参考文献：
  名称：

  Angiotensin-converting enzyme inhibitors. New orally active antihypertensive (mercaptoalkanoyl)- and [(acylthio)alkanoyl]glycine derivatives

  摘要：

  A variety of N-substituted (mercaptoalkanoyl)- and [(acylthio)alkanoyl]glycine derivatives was synthesized and their ability in inhibiting the activity of angiotensin-converting enzyme (ACE) was examined in vitro and in vivo. The acylthio derivatives prepared are assumed to act as prodrugs since they are much less active than the corresponding free SH compounds in vitro and can be expected to act in vivo only after conversion to the free sulfhydryl compounds. A number of these compounds are potent ACE inhibitors that lowered blood pressure in Na-deficient, conscious spontaneously hypertensive rats (SHR), a high renin model. One of the most active members of the series was (S)-N-cyclopentyl-N-[3-[(2,2-dimethyl-1-oxopropyl)thio]-2-methyl-1 -oxopropyl]glycine (REV 3659-(S), pivopril). Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00379a013

文献信息

• US5496805A
  申请人：——

  公开号：US5496805A

  公开（公告）日：1996-03-05