Methyl 6-[(4-benzhydrylpiperazin-1-yl)methyl]pyridine-2-carboxylate | 1351369-94-2

• 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: Methyl 6-[(4-benzhydrylpiperazin-1-yl)methyl]pyridine-2-carboxylate
• CAS: 1351369-94-2
• 化学式: C₂₅H₂₇N₃O₂
• 分子量: 401.508
• InChiKey: XFHMCXJDSMVPDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST
  申请人：Okada Makoto

  公开号：US20130085127A1

  公开（公告）日：2013-04-04

  A heterocyclic compound useful as an antiallergic agent is provided. A compound represented by the following formula (1) or a salt thereof: wherein the ring A is a homocyclic or heterocyclic ring; the ring B is a heterocyclic ring which contains G and nitrogen atom N as constituent atoms thereof, wherein G is CH or N; R 1 is a carbonyl group or an alkylene group; R 2a and R 2b are an alkyl group, a cycloalkyl group, an aryl group, or a heterocyclic group; X is an oxygen atom or a sulfur atom; Z is a hydroxyl group, an alkoxy group, a cycloalkyloxy group, an aryloxy group, an aralkyloxy group, an amino group, or an N-substituted amino group; and n is 0 or 1; with the proviso that when the ring A is a benzene ring or when the ring B is a piperazine ring, R 1 is an alkylene group which may have a substituent.

  提供一种作为抗过敏剂使用的杂环化合物。所述化合物由以下式（1）或其盐表示：其中环A是同环或杂环；环B是一个杂环，其中包含G和氮原子N作为其组成原子，其中G是CH或N；R1是一个羰基或一个烷基基团；R2a和R2b是烷基基团、环烷基基团、芳基团或杂环基团；X是一个氧原子或硫原子；Z是一个羟基、烷氧基、环烷氧基、芳氧基、芳基氧基、氨基或N-取代氨基；n为0或1；但条件是当环A为苯环或环B为哌嗪环时，R1是可能有取代基的烷基基团。
• HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP2578569A1

  公开（公告）日：2013-04-10

  A heterocyclic compound useful as an antiallergic agent is provided. A compound represented by the following formula (1) or a salt thereof: wherein the ring A is a homocyclic or heterocyclic ring; the ring B is a heterocyclic ring which contains G and nitrogen atom N as constituent atoms thereof, wherein G is CH or N; R1 is a carbonyl group or an alkylene group; R2a and R2b are an alkyl group, a cycloalkyl group, an aryl group, or a heterocyclic group; X is an oxygen atom or a sulfur atom; Z is a hydroxyl group, an alkoxy group, a cycloalkyloxy group, an aryloxy group, an aralkyloxy group, an amino group, or an N-substituted amino group; and n is 0 or 1; with the proviso that when the ring A is a benzene ring or when the ring B is a piperazine ring, R1 is an alkylene group which may have a substituent.

  提供了一种可用作抗过敏剂的杂环化合物。 由下式（1）代表的化合物或其盐： 其中，环 A 是均环或杂环；环 B 是杂环，其组成原子包含 G 和氮原子 N，其中 G 是 CH 或 N；R1 是羰基或亚烷基；R2a 和 R2b 是烷基、环烷基、芳基或杂环基；X 是氧原子或硫原子；Z 是羟基、烷氧基、环烷氧基、芳氧基、芳烷氧基、氨基或 N-取代氨基；n 是 0 或 1；但当环 A 是苯环或环 B 是哌嗪环时，R1 是亚烷基，该亚烷基可能具有取代基。
• US9365553B2
  申请人：——

  公开号：US9365553B2

  公开（公告）日：2016-06-14