3,6-dibenzoyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-ylamine | 52824-62-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6-dibenzoyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-ylamine
• 英文别名: (2-amino-6-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-phenylmethanone
• CAS: 52824-62-1
• 化学式: C₂₁H₁₈N₂O₂S
• 分子量: 362.452
• InChiKey: JDCKRERJFVYOSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  3,6-dibenzoyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-ylamine 在 吡啶 作用下， 以 乙醚 为溶剂， 生成 8-benzoyl-5-phenyl-1,3,6,7,8,9-hexahydro-pyrido[4',3':4,5]thieno[2,3-e][1,4]diazepin-2-one
  参考文献：
  名称：

  2,3-二氢-1H-噻吩并（2,3-e）（1,4）二氮杂s的合成和药理评价。

  摘要：

  DOI：

  10.1021/jm00252a011
• 作为产物：
  描述：

  1-benzoyl-4-(1-cyano-2-oxo-2-phenyl-ethylidene)-piperidine 在 sulfur 、 二乙胺 作用下， 以 苯 为溶剂， 生成 3,6-dibenzoyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-ylamine
  参考文献：
  名称：

  2,3-二氢-1H-噻吩并（2,3-e）（1,4）二氮杂s的合成和药理评价。

  摘要：

  DOI：

  10.1021/jm00252a011

文献信息

• Allosteric Modulation of the Adenosine A₁ Receptor. Synthesis and Biological Evaluation of Novel 2-Amino-3-benzoylthiophenes as Allosteric Enhancers of Agonist Binding
  作者：Pieter A. M. van der Klein、Angeliki P. Kourounakis、Ad P. IJzerman

  DOI：10.1021/jm991051d

  日期：1999.9.1

  Novel allosteric enhancers of agonist binding to the rat adenosine Al receptor are described. The lead compound for the new series was PD 81,723 ((2-amino-4,5-dimethyl-3-thienyl)[3(trifluoromethyl)phenyl]methanone), a compound previously reported by Bruns and co-workers (Mol. Pharmacol. 1990, 38, 950-958). The 4,5-dimethyl group and the benzoyl moiety were targets for further modifications, leading to series of 4,5-dialkyl (12a-g), of tetrahydrobenzo (12h-u), and of tetrahydropyridine (13a-g) derivatives. A number of compounds, in particular 12b, 12e, 12j, 12n, and 12u, proved superior to PD 81,723, Their EC50 values for enhancing the binding of the adenosine Al receptor agonist N-6-cyclopentyladenosine to the receptor were lower, and/or their antagonistic activity on the adenosine Al receptor was shown to be diminished.
• Synthesis and pharmacological evaluation of 2,3-dihydro-1H-thieno[2,3-e][1,4]diazepines
  作者：Francis J. Tinney、Joseph P. Sanchez、Joan A. Nogas

  DOI：10.1021/jm00252a011

  日期：1974.6