Sodium 4-(2-hydroxyethyl)-1-piperidinocarbodithioate | 135354-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Sodium 4-(2-hydroxyethyl)-1-piperidinocarbodithioate
• 英文别名: sodium;4-(2-hydroxyethyl)piperidine-1-carbodithioate
• CAS: 135354-16-4
• 化学式: C₈H₁₄NOS₂*Na
• 分子量: 227.327
• InChiKey: PRKUBSIUWWAEKB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.08
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  56.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Sodium 4-(2-hydroxyethyl)-1-piperidinocarbodithioate 、 五羰基溴化锰(I) 以 甲醇 为溶剂， 以42%的产率得到
  参考文献：
  名称：

  Synthesis, toxicities and bio-activities of manganese complexes with CO and H2S dual donors

  摘要：

  A series of H2S-CO dual-donors [Mn(CO)(4)CS2NR1R2] was synthesized, and evaluated from toxicity and bioactivity. The CO-H2S measuring test showed all the complexes not only released CO, but released H2S. The resulting data of cytotoxicity showed all the complexes had activities against the cell proliferation; among them, complexes 1, 2 and 7 displayed higher activities than the others, and their potencies were close to cis-platinum (DDP); whereas the precursors A(1)-A(22) had almost no activities against all five tumor cell lines and W138 cell line proliferation. It is worth noting that complex 1 displayed the highest activity to MCF-7, complex 2 displayed the highest activity to HePG2, and complex 7 showed selectivity inhibition to both A549 and HeLa. The developmental toxicities of the complex were assessed using zebrafish embryos. The results showed complexes 1 and 2 had effect on the mortality and hatching rate of zebrafish embryos in dose-dependent manner. They caused zebrafish malformations when they were over 10 mu M. Meanwhile, they displayed dose-dependent toxicities to larval zebrafish. In the test of bio-activities, complexes 1 and 2 had strong anti-inflammatory activities; they not only down-regulated the expression levels of iNOS and TNF-alpha, up-regulated the expression of HO-1 and IL-10, but also up-regulated COX-2 levels. In contrast, the precursor compound (A(1) or A(2)) displayed lower anti-inflammatory activity than the corresponding complex, which suggests both the CO and H2S from the complex took synergistic effects in the process of anti-inflammation. In addition, the complex showed antihypertensive effect and myocardial protection. This effect also possibly resulted from this synergistic effect. All these suggest the complexes have potential to be candidate medicines. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.10.004
• 作为产物：
  描述：

  4-哌啶乙醇 、 二硫化碳 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 8.0h， 生成 Sodium 4-(2-hydroxyethyl)-1-piperidinocarbodithioate
  参考文献：
  名称：

  Synthesis, toxicities and bio-activities of manganese complexes with CO and H2S dual donors

  摘要：

  A series of H2S-CO dual-donors [Mn(CO)(4)CS2NR1R2] was synthesized, and evaluated from toxicity and bioactivity. The CO-H2S measuring test showed all the complexes not only released CO, but released H2S. The resulting data of cytotoxicity showed all the complexes had activities against the cell proliferation; among them, complexes 1, 2 and 7 displayed higher activities than the others, and their potencies were close to cis-platinum (DDP); whereas the precursors A(1)-A(22) had almost no activities against all five tumor cell lines and W138 cell line proliferation. It is worth noting that complex 1 displayed the highest activity to MCF-7, complex 2 displayed the highest activity to HePG2, and complex 7 showed selectivity inhibition to both A549 and HeLa. The developmental toxicities of the complex were assessed using zebrafish embryos. The results showed complexes 1 and 2 had effect on the mortality and hatching rate of zebrafish embryos in dose-dependent manner. They caused zebrafish malformations when they were over 10 mu M. Meanwhile, they displayed dose-dependent toxicities to larval zebrafish. In the test of bio-activities, complexes 1 and 2 had strong anti-inflammatory activities; they not only down-regulated the expression levels of iNOS and TNF-alpha, up-regulated the expression of HO-1 and IL-10, but also up-regulated COX-2 levels. In contrast, the precursor compound (A(1) or A(2)) displayed lower anti-inflammatory activity than the corresponding complex, which suggests both the CO and H2S from the complex took synergistic effects in the process of anti-inflammation. In addition, the complex showed antihypertensive effect and myocardial protection. This effect also possibly resulted from this synergistic effect. All these suggest the complexes have potential to be candidate medicines. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.10.004

文献信息

• US3954768A
  申请人：——

  公开号：US3954768A

  公开（公告）日：1976-05-04