S-Chloracetyl-2-amino-aethanthiol-hydrochlorid | 90587-64-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: S-Chloracetyl-2-amino-aethanthiol-hydrochlorid
• 英文别名: S-(2-Aminoethyl) chloroethanethioate--hydrogen chloride (1/1)；S-(2-aminoethyl) 2-chloroethanethioate;hydrochloride
• CAS: 90587-64-7
• 化学式: C₄H₈ClNOS*ClH
• 分子量: 190.094
• InChiKey: SOEBSBKTIIFFRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.27
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  70
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  BOC-甘氨酸 、 S-Chloracetyl-2-amino-aethanthiol-hydrochlorid 在 六氯环三磷腈 、 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 5.75h， 以35%的产率得到Chloro-thioacetic acid S-[2-(2-tert-butoxycarbonylamino-acetylamino)-ethyl] ester
  参考文献：
  名称：

  Synthesis and radioprotective activity of new cysteamine and cystamine derivatives

  摘要：

  A variety of N-(aminoalkanoyl)-S-acylcysteamine and N,N'-bis(aminoalkanoyl)cystamine salt derivatives were synthesized. Toxicity and radioprotective activity (as the dose reduction factor DRF) were determined in vivo on mice and compared to WR 2721 and S-acetylcysteamine hydrochloride. One of the most interesting compounds of this series was N-glycyl-S-acetylcysteamine trifluoroacetate (16, I 102). Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00161a015

文献信息

• Synthesis and radioprotective activity of new cysteamine and cystamine derivatives
  作者：J. Oiry、J. Y. Pue、J. L. Imbach、M. Fatome、H. Sentenac-Roumanou、C. Lion

  DOI：10.1021/jm00161a015

  日期：1986.11

  A variety of N-(aminoalkanoyl)-S-acylcysteamine and N,N'-bis(aminoalkanoyl)cystamine salt derivatives were synthesized. Toxicity and radioprotective activity (as the dose reduction factor DRF) were determined in vivo on mice and compared to WR 2721 and S-acetylcysteamine hydrochloride. One of the most interesting compounds of this series was N-glycyl-S-acetylcysteamine trifluoroacetate (16, I 102). Structure-activity relationships are discussed.