[4-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-butyl]-carbamic acid 2-(2-hydroxy-ethoxy)-ethyl ester | 725736-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并咪唑类化合物
• 英文名称: [4-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-butyl]-carbamic acid 2-(2-hydroxy-ethoxy)-ethyl ester
• CAS: 725736-66-3
• 化学式: C₁₄H₂₅N₃O₅S
• 分子量: 347.436
• InChiKey: FPYFYEUAVXSJGN-SRVKXCTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.06
• 重原子数：
  23.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  108.92
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [4-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-butyl]-carbamic acid 2-(2-hydroxy-ethoxy)-ethyl ester 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Synthesis of a bioprobe for elucidation of target molecule of spongean anti-malarial peroxides

  摘要：

  The reactants of an anti-malarial peroxide having a 6-carbomethoxymethyl-3-methoxy-1,2-dioxane moiety treated with FeSO4 were analyzed. For mechanistic study of the anti-malarial peroxide, two biotinylated probes to elucidate the target molecules were designed and synthesized. The two synthesized probes showed potent anti-malarial activity, and one of them was proved to form an irreversible binding with protein in a model experiment. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.086
• 作为产物：
  描述：

  D-生物素 在 二苯基磷酸 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 [4-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-butyl]-carbamic acid 2-(2-hydroxy-ethoxy)-ethyl ester
  参考文献：
  名称：

  Synthesis of a bioprobe for elucidation of target molecule of spongean anti-malarial peroxides

  摘要：

  The reactants of an anti-malarial peroxide having a 6-carbomethoxymethyl-3-methoxy-1,2-dioxane moiety treated with FeSO4 were analyzed. For mechanistic study of the anti-malarial peroxide, two biotinylated probes to elucidate the target molecules were designed and synthesized. The two synthesized probes showed potent anti-malarial activity, and one of them was proved to form an irreversible binding with protein in a model experiment. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.086