ADM_12

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: ADM_12
• 英文别名: Sodium;3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonate；sodium;3-[5-(dithiolan-3-yl)pentanoylamino]propane-1-sulfonate
• 化学式: C₁₁H₂₀NO₄S₃*Na
• 分子量: 349.472
• InChiKey: FAGURLYGCFFPQV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.24
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  145
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基丙烷磺酸 、 DL-α-硫辛酸-NHS 在 碳酸氢钠 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以59%的产率得到ADM_12
  参考文献：
  名称：

  Interaction of Half Oxa-/Half cis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity

  摘要：

  The formation of amorphous protein aggregates containing human superoxide dismutase (hSOD1) is thought to be involved in amyotrophic lateral sclerosis onset. cis-Platin inhibits the oligomerization of apo hSOD1, but its toxicity precludes any possible use in therapy. Herein, we propose a less toxic platinum complex, namely oxa/cis-platin, as hSOD1 antiaggregation lead compound. Oxa/cis-platin is able to interact with hSOD1 in the disulfide oxidized apo form by binding cysteine 111 (Cys111). The mild neurotoxic phenomena induced in vitro and in vivo by oxa/cis-platin can be successfully reverted by using lypoyl derivatives, which do not interfere with the antiaggregation properties of the platin derivative.

  DOI：

  10.1021/acsmedchemlett.8b00199

文献信息

• Interaction of Half Oxa-/Half <i>cis</i>-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity
  作者：Francesca Cantini、Vito Calderone、Lorenzo Di Cesare Mannelli、Magdalena Korsak、Leonardo Gonnelli、Oscar Francesconi、Carla Ghelardini、Lucia Banci、Cristina Nativi

  DOI：10.1021/acsmedchemlett.8b00199

  日期：2018.11.8

  The formation of amorphous protein aggregates containing human superoxide dismutase (hSOD1) is thought to be involved in amyotrophic lateral sclerosis onset. cis-Platin inhibits the oligomerization of apo hSOD1, but its toxicity precludes any possible use in therapy. Herein, we propose a less toxic platinum complex, namely oxa/cis-platin, as hSOD1 antiaggregation lead compound. Oxa/cis-platin is able to interact with hSOD1 in the disulfide oxidized apo form by binding cysteine 111 (Cys111). The mild neurotoxic phenomena induced in vitro and in vivo by oxa/cis-platin can be successfully reverted by using lypoyl derivatives, which do not interfere with the antiaggregation properties of the platin derivative.