1-[(4-cyano-5-methyl-4-phenyl)hexyl]-4-[2-(3-pyridyloxy)ethyl]piperazine

• 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: 1-[(4-cyano-5-methyl-4-phenyl)hexyl]-4-[2-(3-pyridyloxy)ethyl]piperazine
• 英文别名: 2-Phenyl-2-propan-2-yl-5-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]pentanenitrile
• 化学式: C₂₅H₃₄N₄O
• 分子量: 406.571
• InChiKey: MDWDYKGQDBGMJN-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：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  52.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-[(4-cyano-5-methyl-4-phenyl)hexyl]-4-(2-hydroxyethyl)piperazine 在 氯化亚砜 、 sodium hydride 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1-[(4-cyano-5-methyl-4-phenyl)hexyl]-4-[2-(3-pyridyloxy)ethyl]piperazine
  参考文献：
  名称：

  Discovery of novel neuronal voltage-Dependent calcium channel blockers based on emopamil left hand as a bioactive template

  摘要：

  A series of novel neuronal voltage-dependent calcium channel (VDCC) blockers, with inhibitory activity at low micromolar and moderate solubility in water, was discovered by constructing and screening a focused library based on emopamil (1) left hand (ELH) as a bioactive template. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01070-3

文献信息

• N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP1099692B1

  公开（公告）日：2006-05-03
• US6737425B1
  申请人：——

  公开号：US6737425B1

  公开（公告）日：2004-05-18
• Discovery of novel neuronal voltage-Dependent calcium channel blockers based on emopamil left hand as a bioactive template
  作者：Yuichi Suzuki、Noboru Yamamoto、Yoichi Iimura、Koki Kawano、Teiji Kimura、Satoshi Nagato、Koichi Ito、Makoto Komatsu、Yoshihiko Norimine、Manami Kimura、Tetsuyuki Teramoto、Yoshihisa Kaneda、Takeshi Hamano、Tetsuhiro Niidome、Masahiro Yonaga

  DOI：10.1016/s0960-894x(02)01070-3

  日期：2003.3

  A series of novel neuronal voltage-dependent calcium channel (VDCC) blockers, with inhibitory activity at low micromolar and moderate solubility in water, was discovered by constructing and screening a focused library based on emopamil (1) left hand (ELH) as a bioactive template. (C) 2003 Elsevier Science Ltd. All rights reserved.