Iodhydrate de S-methyl ε-thiocaprolactime | 20881-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: Iodhydrate de S-methyl ε-thiocaprolactime
• 英文别名: 7-methylsulfanyl-3,4,5,6-tetrahydro-2H-azepine;hydroiodide
• CAS: 20881-56-5
• 化学式: C₇H₁₃NS*HI
• 分子量: 271.165
• InChiKey: WVAYDDGKSQPYNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Iodhydrate de S-methyl ε-thiocaprolactime 生成 甲硫醇
  参考文献：
  名称：

  LHOMMET, G.;RICHAUD, M. G.;MAITTE, P., J. HETEROCYCL. CHEM., 1982, 19, N 2, 431-432

  摘要：

  DOI：
• 作为产物：
  描述：

  ε-硫代己内酰胺 、 碘甲烷 以 丙酮 为溶剂， 反应 48.0h， 生成 Iodhydrate de S-methyl ε-thiocaprolactime
  参考文献：
  名称：

  2-Iminopiperidine and Other 2-Iminoazaheterocycles as Potent Inhibitors of Human Nitric Oxide Synthase Isoforms

  摘要：

  A series of 2-iminoazaheterocycles. have been prepared and shown to be patent inhibitors of human nitric oxide synthase (NOS) isoforms. This series includes cyclic amidines ranging from five- to nine-membered rings, of which 2-iminopiperidine and 2-iminohomopiperidine were the most potent inhibitors, with IC50 values of 1.0 and 2.0 mu M, respectively, for human inducible nitric oxide synthase. This series of cyclic inhibitors was further expanded to include analogs with heteroatoms in the S-position of the six-membered ring. This modification was tolerated for sulfur and oxygen, but nitrogen reduced the inhibitory potency. The oral administration of 2-iminopiperidine in lipopolysaccharide (LPS)-treated rats inhibited the LPS-induced increase in plasma nitrite/nitrate levels in a dose-dependent manner, demonstrating its ability to inhibit inducible NOS activity in vivo. These cyclic amidines represent a new class of potent NOS inhibitors and the foundation for potential therapeutic agents.

  DOI：

  10.1021/jm950766n

文献信息

• Lhommet, Gerard; Richaud, Marie, Genevieve; Maitte, Piere, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 431 - 432
  作者：Lhommet, Gerard、Richaud, Marie, Genevieve、Maitte, Piere

  DOI：——

  日期：——