N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]-4-methylbenzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]-4-methylbenzamide
• 化学式: C₂₀H₁₇N₃O₃
• 分子量: 347.4
• InChiKey: BRUAVFAYGUHBPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73.3
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Antistress drug and medical use thereof
  申请人：Ohmoto Kazuyuki

  公开号：US20070099938A1

  公开（公告）日：2007-05-03

  The compound represented by formula (I) (wherein ringA is cyclic group which may have a substituent(s), Q is alkyl which may have a substituent(s) or cyclic ring which may have a substituent(s), ringD is cyclic ring which may have a substituent(s), W is a single bond or a spacer of which main chain has an atom number of 1-4, Y is a spacer of which main chain has an atom number of 1-4.), a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof Since the compounds represented by formula (I), a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof have the affinity to MBR, they are useful for the prevention and/or treatment for disease caused by stress.

  化合物的分子式为（I）（其中环A是一个可以有取代基的环状基团，Q是一个可以有取代基或环状基团的烷基，环D是一个可以有取代基的环状基团，W是一个单键或具有1-4个原子数的主链的间隔键，Y是具有1-4个原子数的主链的间隔键），其盐，N-氧化物或溶剂化物，或其前药。由于分子式（I）所代表的化合物，其盐，N-氧化物或溶剂化物，或其前药具有对MBR的亲和力，因此它们对于预防和/或治疗由压力引起的疾病是有用的。
• ANTISTRESS DRUG AND MEDICAL USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1679309A1

  公开（公告）日：2006-07-12

  The compound represented by formula (I) (wherein ringA is cyclic group which may have a substituent(s), Q is alkyl which may have a substituent(s) or cyclic ring which may have a substituent(s), ringD is cyclic ring which may have a substituent(s), W is a single bond or a spacer of which main chain has an atom number of 1-4, Y is a spacer of which main chain has an atom number of 1-4.), a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof Since the compounds represented by formula (I), a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof have the affinity to MBR, they are useful for the prevention and/or treatment for disease caused by stress.

  式 (I) 所代表的化合物 (其中，环 A 为可带取代基的环状基团，Q 为可带取代基的烷基或可带取代基的环状环，环 D 为可带取代基的环状环，W 为单键或主链原子序数为 1-4 的间隔键，Y 为主链原子序数为 1-4 的间隔键)、其盐、其 N-氧化物或其溶液或其原药。由于式 (I) 所代表的化合物、其盐、其 N-氧化物或其溶解物或其原药具有与 MBR 的亲和力，因此可用于预防和/或治疗由压力引起的疾病。