3-cyano-N,4-dimethylbenzamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-cyano-N,4-dimethylbenzamide
• 英文别名: 3-cyano-N, 4-dimethylbenzamide
• 化学式: C₁₀H₁₀N₂O
• 分子量: 174.202
• InChiKey: QAIPOQRSBWSIFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-iodo-N, 4-dimethylbenzamide 、 氰化锌 在 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 3-cyano-N,4-dimethylbenzamide
  参考文献：
  名称：

  SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF

  摘要：

  公开号：

  EP1348706B1

文献信息

• Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07067537B2

  公开（公告）日：2006-06-27

  The present invention provides a pharmaceutical composition having a steroid C17,20-lyase inhibitory activity, which is useful as a prophylactic or therapeutic agent of prostatism, tumor such as breast cancer and the like, more particularly, a steroid C17,20-lyase inhibitor containing a compound represented by the formula: wherein A1 is an aromatic hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, one of A2 and A3 is a hydrogen atom, a halogen atom, a C1-4 aliphatic hydrocarbon group optionally having substituents or an optionally esterified carboxyl group, the other of A2 and A3 is an aromatic hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, and at least one of A1, A2 and A3 is a 3-pyridyl group optionally having substituents, or a salt thereof or a prodrug thereof.

  本发明提供了一种具有类固醇C17,20-裂解酶抑制活性的药物组合物，可用作前列腺增生症、乳腺癌等肿瘤的预防或治疗剂，更具体地说，是一种含有以下化合物的类固醇C17,20-裂解酶抑制剂：其中A1是一个芳香族碳氢基团，可选地具有取代基或一个杂环基团，A2和A3中的一个是氢原子、卤素原子、可选地具有取代基的C1-4脂肪烃基团或可选地酯化的羧基团，另一个是可选地具有取代基的芳香族碳氢基团或杂环基团，而A1、A2和A3中的至少一个是可选地具有取代基的3-吡啶基团，或其盐或前药。
• SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1348706B1

  公开（公告）日：2009-08-19