Cyclopropanecarboxylic acid [6-acetyl-3-(2-chloro-benzoyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl]-amide | 342884-03-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cyclopropanecarboxylic acid [6-acetyl-3-(2-chloro-benzoyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl]-amide
• 英文别名: N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
• CAS: 342884-03-1
• 化学式: C₂₀H₁₉ClN₂O₃S
• 分子量: 402.901
• InChiKey: RVQDUVSRXQVRFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  94.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Cyclopropanecarboxylic acid [6-acetyl-3-(2-chloro-benzoyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl]-amide 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Cyclopropanecarboxylic acid [6-acetyl-3-(2-chloro-benzoyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl]-methyl-amide
  参考文献：
  名称：

  Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production

  摘要：

  Novel 4,5,6,7-tetraliydrothieno[2,3-c]pyridine derivatives were synthesized and evaluated for their abilities to inhibit lipopolysaccharide (LPS)-stimulated production of TNF-alpha in rat whole blood. Several of these compounds exhibited potent inhibitory activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00228-7
• 作为产物：
  描述：

  N-乙酰基-4-哌啶酮 在 吡啶 、 sulfur 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Cyclopropanecarboxylic acid [6-acetyl-3-(2-chloro-benzoyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl]-amide
  参考文献：
  名称：

  Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production

  摘要：

  Novel 4,5,6,7-tetraliydrothieno[2,3-c]pyridine derivatives were synthesized and evaluated for their abilities to inhibit lipopolysaccharide (LPS)-stimulated production of TNF-alpha in rat whole blood. Several of these compounds exhibited potent inhibitory activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00228-7