[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.
• Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases
  作者：K. Shankaran、Karla L. Donnelly、Shrenik K. Shah、Charles G. Caldwell、Ping Chen、William K. Hagmann、Malcolm MacCoss、John L. Humes、Stephen G. Pacholok、Theresa M. Kelly、Stephan K. Grant、Kenny K. Wong

  DOI：10.1016/j.bmcl.2004.09.019

  日期：2004.12

  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.