N-benzyloxycarbonyl-β-alanine-(2-mercapto-ethylamide) | 104071-82-1

• 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: N-benzyloxycarbonyl-β-alanine-(2-mercapto-ethylamide)
• 英文别名: N-Benzyloxycarbonyl-β-alanin-(2-mercapto-aethylamid)；3-(benzyloxycarbonylamino)-N-(2-mercaptoethyl)propionamide；benzyl N-[3-oxo-3-(2-sulfanylethylamino)propyl]carbamate
• CAS: 104071-82-1
• 化学式: C₁₃H₁₈N₂O₃S
• 分子量: 282.364
• InChiKey: ARJGZUUFLRKLCI-UHFFFAOYSA-N

物化性质

• 熔点：
  109-112 °C
• 沸点：
  534.8±45.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  68.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-benzyloxycarbonyl-β-alanine-(2-mercapto-ethylamide) 在 碘 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 0.25h， 以65%的产率得到bis-{2-[(N-benzyloxycarbonyl-β-alanyl)-amino]-ethyl}-disulfide
  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
• 作为产物：
  描述：

  N-CBZ-beta-丙氨酸 在 甲醇 、 六氯环三磷腈 、 sodium methylate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 N-benzyloxycarbonyl-β-alanine-(2-mercapto-ethylamide)
  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

• Aletheine derivatives
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US04552765A1

  公开（公告）日：1985-11-12

  Aletheine derivatives of the general formula ##STR1## which are useful for treatment of liver damage.

  通用公式##STR1##的Aletheine衍生物，对治疗肝损伤有用。
• The Synthesis of Pantetheine—Pantethine^1a
  作者：E. L. Wittle、J. A. Moore、R. W. Stipek、F. E. Peterson、V. M. McGlohon、O. D. Bird、G. M. Brown、E. E. Snell

  DOI：10.1021/ja01103a053

  日期：1953.4
• MITA, SYU;IVAO, DZYUNITI;ISO, MAKOTO;OYA, MASAYUKI
  作者：MITA, SYU、IVAO, DZYUNITI、ISO, MAKOTO、OYA, MASAYUKI

  DOI：——

  日期：——
• US4552765A
  申请人：——

  公开号：US4552765A

  公开（公告）日：1985-11-12
• 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.