1-[2-Amino-3-(3-chloro-benzoyl)-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl]-ethanone | 847950-00-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-Amino-3-(3-chloro-benzoyl)-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl]-ethanone
• 英文别名: 1-[2-amino-3-(3-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
• CAS: 847950-00-9
• 化学式: C₁₆H₁₅ClN₂O₂S
• 分子量: 334.826
• InChiKey: HHIKDORWRLAOSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  91.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[2-Amino-3-(3-chloro-benzoyl)-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl]-ethanone 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 作用下， 生成 N-[6-Acetyl-3-(3-chloro-benzoyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl]-isobutyramide
  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 、 3-氯苯甲酰乙腈 在 sulfur 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[2-Amino-3-(3-chloro-benzoyl)-4,7-dihydro-5H-thieno[2,3-c]pyridin-6-yl]-ethanone
  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

文献信息

• US5382579A
  申请人：——

  公开号：US5382579A

  公开（公告）日：1995-01-17
• Synthesis and bioactivities of novel 4,5,6,7-Tetrahydrothieno[2,3-c]pyridines as inhibitors of tumor necrosis factor-α (TNF-α) production
  作者：Masakazu Fujita、Taketsugu Seki、Haruaki Inada、Naoko Ikeda

  DOI：10.1016/s0960-894x(02)00228-7

  日期：2002.6

  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.