Thioacetic acid S-[2-(2-methylamino-acetylamino)-ethyl] ester; compound with trifluoro-acetic acid | 97313-90-1

• 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: Thioacetic acid S-[2-(2-methylamino-acetylamino)-ethyl] ester; compound with trifluoro-acetic acid
• 英文别名: Ethanethioic acid, S-(2-(((methylamino)acetyl)amino)ethyl) ester, mono(trifluoroacetate)；S-[2-[[2-(methylamino)acetyl]amino]ethyl] ethanethioate;2,2,2-trifluoroacetic acid
• CAS: 97313-90-1
• 化学式: C₂HF₃O₂*C₇H₁₄N₂O₂S
• 分子量: 304.29
• InChiKey: DEIIXJLDOMQNFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-<(tert-butyloxycarbonyl)sarcosyl>-S-acetylcysteamine 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 2.0h， 以90%的产率得到Thioacetic acid S-[2-(2-methylamino-acetylamino)-ethyl] ester; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Synthesis and radioprotective activity of new N-(amino acid)-S-acetylcysteamine and cystamine derivatives

  摘要：

  In order to evaluate the influence of an amino acid conjugation (Sar, Ser, Phe, Pro, Thz) on S-acetylcysteamine, cystamine, N-(amino acid)-S-acetylcysteamine (14-18) and N,N'-bis (amino acid) cystamine (24-28) derivatives have been synthesized and evaluated as potential radioprotectors. Their toxicity and radioprotective activity, as the dose reduction factor (DRF) have been determined (in vivo; ip) and compared with cysteamine and cystamine parent compounds: N-glycyl-S-acetylcysteamine trifluoroacetate 1 and N,N'-bis (glycyl)cystamine bis (trifluoroacetate) 2. Among these compounds, 14 (Sar), 15 (Ser), 15a [Ser (Ac)], 16 [Phe], 24 (Sar) had significant radioprotective activity.

  DOI：

  10.1016/0223-5234(92)90115-h

文献信息

• Synthesis and radioprotective activity of new N-(amino acid)-S-acetylcysteamine and cystamine derivatives
  作者：J Oiry、JY Pue、M Fatome、H Sentenac-Roumanou、C Lion、JL Imbach

  DOI：10.1016/0223-5234(92)90115-h

  日期：1992.11

  In order to evaluate the influence of an amino acid conjugation (Sar, Ser, Phe, Pro, Thz) on S-acetylcysteamine, cystamine, N-(amino acid)-S-acetylcysteamine (14-18) and N,N'-bis (amino acid) cystamine (24-28) derivatives have been synthesized and evaluated as potential radioprotectors. Their toxicity and radioprotective activity, as the dose reduction factor (DRF) have been determined (in vivo; ip) and compared with cysteamine and cystamine parent compounds: N-glycyl-S-acetylcysteamine trifluoroacetate 1 and N,N'-bis (glycyl)cystamine bis (trifluoroacetate) 2. Among these compounds, 14 (Sar), 15 (Ser), 15a [Ser (Ac)], 16 [Phe], 24 (Sar) had significant radioprotective activity.