N,N-Diisopropyl-thiocarbamoylmercaptoessigsaeure | 15970-54-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N,N-Diisopropyl-thiocarbamoylmercaptoessigsaeure
• 英文别名: 2-[di(propan-2-yl)carbamothioylsulfanyl]acetic acid
• CAS: 15970-54-4
• 化学式: C₉H₁₇NO₂S₂
• 分子量: 235.371
• InChiKey: XVPDJOXELXDDFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  97.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N-Diisopropyl-thiocarbamoylmercaptoessigsaeure 在 一水合肼 作用下， 生成 4,4-Diisopropylthiosemicarbazid
  参考文献：
  名称：

  Jensen,K.A. et al., Acta Chemica Scandinavica (1947), 1968, vol. 22, p. 1 - 50

  摘要：

  DOI：
• 作为产物：
  描述：

  二硫化碳 、 sodium monochloroacetic acid 、 N,N-二异丙基乙胺 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 3.5h， 以60%的产率得到N,N-Diisopropyl-thiocarbamoylmercaptoessigsaeure
  参考文献：
  名称：

  Tribenzyltin carboxylates as anticancer drug candidates: Effect on the cytotoxicity, motility and invasiveness of breast cancer cell lines

  摘要：

  This study seeks to investigate the relationship between the structural modification and bioactivity of a series of tribenzyltin complexes with different ligands and substitutions. Complexation with the N,N-diisopropylcarbamothioylsulfanylacetate or isonicotinate ligands enhanced the anticancer properties of tribenzyltin compounds via delayed cancer cell-cycle progression, caspase-dependent apoptosis induction, and significant reduction in cell motility, migration and invasion. Halogenation of the benzyl ring improved the anticancer effects of the tribenzyltin compounds with the N,N-diisopropylcarbamothioylsulfanylacetate ligand. These compounds also demonstrated far greater anticancer effects and selectivity than cisplatin and doxorubicin, which provides a rationale for their further development as anticancer agents. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.09.061

文献信息

• Antibacterial Nitrofuran Derivatives. I. 5-Nitro-2-furaldehyde Semicarbazones and Thiosemicarbazones
  作者：D. Nardi、E. Massarani、A. Tajana、L. Degen、M. J. Magistretti

  DOI：10.1021/jm00316a006

  日期：1967.7