[1,4]Thiazepan-(5E)-ylideneamine | 73028-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: [1,4]Thiazepan-(5E)-ylideneamine
• 英文别名: 2,3,6,7-tetrahydro-1,4-thiazepin-5-amine
• CAS: 73028-68-9
• 化学式: C₅H₁₀N₂S
• mdl: MFCD19220542
• 分子量: 130.214
• InChiKey: VXILVSMPTBRDEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  四氢-(2H)-1,4-硫氮杂革-5-酮 在 劳森试剂 、 氯化铵 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 [1,4]Thiazepan-(5E)-ylideneamine
  参考文献：
  名称：

  Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases

  摘要：

  A series of 3- and 5-imino analogs from oxazepane, thiazepane, and diazepane was prepared and evaluated as inhibitors of human nitric oxide synthesis (NOS). The most potent iNOS inhibitor was the thiazepane analog 25 (IC50 = 0.19 muM). (C) 2004 Elsevier Ltd. All rielits reserved.

  DOI：

  10.1016/j.bmcl.2004.09.019

文献信息

• Selective heterocyclic amidine inhibitors of human inducible nitric oxide synthase
  作者：Alan E Moormann、Sue Metz、Mihaly V Toth、William M Moore、Gina Jerome、Christine Kornmeier、Pamela Manning、Donald W Hansen、Barnett S Pitzele、R.K Webber

  DOI：10.1016/s0960-894x(01)00523-6

  日期：2001.10

  The potency and selectivity of a series of 5-hetero-2-iminohexahydroazepines were examined as inhibitors or the three human NOS isoforms. The effect or ring substitution of the 5-carbon for a heteroatom is presented. Potencies (IC50's) for these inhibitors are in the low micromolar range for hi-NOS with some examples exhibiting a 500x selectivity versus hec-NOS. (C) 2001 Elsevier Science Ltd. All rights reserved.