1,2-二硫杂烷-3-羧酸 | 6629-12-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 中文名称: 1,2-二硫杂烷-3-羧酸
• 英文名称: 1,2-dithiolane-3-carboxylic acid
• 英文别名: [1,2]Dithiolan-3-carbonsaeure；Tetranorlipoic acid；NSC-185355；dithiolane-3-carboxylic acid
• CAS: 6629-12-5
• 化学式: C₄H₆O₂S₂
• mdl: MFCD09029631
• 分子量: 150.222
• InChiKey: SHMXLCRUTGTGGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1,2-二硫杂烷-3-羧酸 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Claeson, Acta Chemica Scandinavica (1947), 1955, vol. 9, p. 178,179, 180

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 、 sodium 作用下， 生成 1,2-二硫杂烷-3-羧酸
  参考文献：
  名称：

  Wladislaw, Chemistry and industry, 1957, p. 263

  摘要：

  DOI：

文献信息

• 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS
  申请人：Sabila Biosciences LLC

  公开号：US20180208584A1

  公开（公告）日：2018-07-26

  Compositions of the invention comprise 1,2-dithiolane, dithiol and related compounds useful as therapeutic agents for the treatment and prevention of diseases and conditions associated with aberrant EGFR activity.

  该发明的组合物包括1,2-二硫杂环烷、二硫醇和相关化合物，可用作治疗剂，用于治疗和预防与EGFR活性异常相关的疾病和病况。
• Design, Synthesis, and Biological Evaluation of Prazosin-Related Derivatives as Multipotent Compounds
  作者：Alessandra Antonello、Patrizia Hrelia、Amedeo Leonardi、Gabriella Marucci、Michela Rosini、Andrea Tarozzi、Vincenzo Tumiatti、Carlo Melchiorre

  DOI：10.1021/jm049153d

  日期：2005.1.1

  To combine in the same molecule alpha(1)-adrenoreceptor blocking and antioxidant properties, compounds 2-5 were designed and synthesized. All compounds were effective alpha(1)-adrenoreceptor antagonists and were tested in both functional and binding assays. In addition, compounds 2 and 5 also displayed significant capacity to inhibit intracellular oxidative stress, whereas 3-5 exerted potent antiproliferative activity in lymph node carcinoma of prostate cells.
• Multitarget-Directed Drug Design Strategy:  A Novel Molecule Designed To Block Epidermal Growth Factor Receptor (EGFR) and To Exert Proapoptotic Effects
  作者：Alessandra Antonello、Andrea Tarozzi、Fabiana Morroni、Andrea Cavalli、Michela Rosini、Patrizia Hrelia、Maria Laura Bolognesi、Carlo Melchiorre

  DOI：10.1021/jm0608762

  日期：2006.11.1

  The multifactorial mechanistic nature of cancer calls for the development of multifunctional therapeutic tools, i.e., single compounds able to interact with multiple altered pathogenetic pathways. Following this rationale, we designed compounds able to irreversibly block epidermal growth factor receptor ( EGFR), and to induce apoptosis in tumor cell lines. The novel molecules were synthesized by combining the structural features of the EGFR inhibitor PD153035 ( 1) and lipoic acid, which among other therapeutic effects triggers apoptosis in human cancer cells.
• Claeson, Acta Chemica Scandinavica (1947), 1955, vol. 9, p. 178,179, 180
  作者：Claeson

  DOI：——

  日期：——
• Wladislaw, Chemistry and industry, 1957, p. 263
  作者：Wladislaw

  DOI：——

  日期：——