2-(2-benzo[b]thienylcarbonyl)-4,5-dimethoxyphenyl methyl acetate | 474069-75-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-benzo[b]thienylcarbonyl)-4,5-dimethoxyphenyl methyl acetate
• 英文别名: Methyl 2-[2-(1-benzothiophene-2-carbonyl)-4,5-dimethoxyphenyl]acetate
• CAS: 474069-75-5
• 化学式: C₂₀H₁₈O₅S
• 分子量: 370.426
• InChiKey: FSZPFAOKRWRUKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  90.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(2-benzo[b]thienylcarbonyl)-4,5-dimethoxyphenyl methyl acetate 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.5h， 生成 1-(1-Benzothiophen-2-yl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
  参考文献：
  名称：

  New PDE4 inhibitors based on pharmacophoric similarity between papaverine and tofisopam

  摘要：

  Pharmacophoric comparison between papaverine and tofisopam led to identify three new series of micro- to sub-micromolar inhibitors of phosphodiesterase-4, including 7,8-dialkoxy-2,3-benzodiazepin-4-one derivatives, 7,8-dialkoxy-1,4-benzodiazepin-2-one derivatives, and dialkoxybenzophenone derivatives. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.036
• 作为产物：
  描述：

  3,4-二甲氧基苯乙酸 在 硫酸 、 tin(ll) chloride 作用下， 生成 2-(2-benzo[b]thienylcarbonyl)-4,5-dimethoxyphenyl methyl acetate
  参考文献：
  名称：

  New PDE4 inhibitors based on pharmacophoric similarity between papaverine and tofisopam

  摘要：

  Pharmacophoric comparison between papaverine and tofisopam led to identify three new series of micro- to sub-micromolar inhibitors of phosphodiesterase-4, including 7,8-dialkoxy-2,3-benzodiazepin-4-one derivatives, 7,8-dialkoxy-1,4-benzodiazepin-2-one derivatives, and dialkoxybenzophenone derivatives. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.036

文献信息

• Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof
  申请人：——

  公开号：US20040152888A1

  公开（公告）日：2004-08-05

  The invention concerns novel benzodiazepine derivatives and their uses in the field of therapeutics particularly for treating pathologies involving the activity of a cyclic nucleotide phosphodiesterase. It also concerns methods for preparing them and novel synthesis intermediates. The inventive compounds more particularly correspond to general formula (I): 1

  这项发明涉及新型苯二氮卓类衍生物及其在治疗领域中的用途，特别用于治疗涉及环核苷酸磷酸二酯酶活性的病理。它还涉及制备它们的方法和新型合成中间体。这些创新化合物更特别地对应于一般式(I)：1
• US7250410B2
  申请人：——

  公开号：US7250410B2

  公开（公告）日：2007-07-31
• New PDE4 inhibitors based on pharmacophoric similarity between papaverine and tofisopam
  作者：Frédéric J.J. Bihel、Hélène Justiniano、Martine Schmitt、Malik Hellal、Mohamed A. Ibrahim、Claire Lugnier、Jean-Jacques Bourguignon

  DOI：10.1016/j.bmcl.2011.08.036

  日期：2011.11

  Pharmacophoric comparison between papaverine and tofisopam led to identify three new series of micro- to sub-micromolar inhibitors of phosphodiesterase-4, including 7,8-dialkoxy-2,3-benzodiazepin-4-one derivatives, 7,8-dialkoxy-1,4-benzodiazepin-2-one derivatives, and dialkoxybenzophenone derivatives. (C) 2011 Elsevier Ltd. All rights reserved.