(4S,5R)-5-Ethyl-4-methyl-selenazolidin-2-ylideneamine | 804552-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: (4S,5R)-5-Ethyl-4-methyl-selenazolidin-2-ylideneamine
• 英文别名: (4S,5R)-5-ethyl-4-methyl-4,5-dihydro-1,3-selenazol-2-amine
• CAS: 804552-44-1
• 化学式: C₆H₁₂N₂Se
• 分子量: 191.135
• InChiKey: KGDKLNPRYLLBRV-CRCLSJGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  38.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-[(4S,5R)-5-Ethyl-4-methyl-selenazolidin-(2E)-ylidene]-oxalamic acid methyl ester 在 甲醇 、 potassium carbonate 作用下， 生成 (4S,5R)-5-Ethyl-4-methyl-selenazolidin-2-ylideneamine
  参考文献：
  名称：

  Novel and orally bioavailable inducible nitric oxide synthase inhibitors: synthesis and evaluation of optically active 4,5-dialkyl-2-iminoselenazolidine derivatives

  摘要：

  We have previously reported that (4R,5R)-5-ethyl-2-imino-4-methylthiazolidine (3) strongly inhibits inducible nitric oxide synthase (iNOS). In a successive search for strong and selective iNOS inhibitors, we, herein, describe the synthesis of the selenium analogue of 3 (4: ES-2133) and its related optically active compounds and examine their in vitro and in vivo inhibitory activity against iNOS. In addition, an alternative synthetic method to the selected compound 4 and its pharmacokinetic profile is also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.013