2-(2-Cyanophenoxy)ethylpiperazine | 552336-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2-Cyanophenoxy)ethylpiperazine
• 英文别名: 2-(2-piperazin-1-ylethoxy)benzonitrile
• CAS: 552336-64-8
• 化学式: C₁₃H₁₇N₃O
• mdl: MFCD18942942
• 分子量: 231.297
• InChiKey: KXKUMYVAUIKHME-UHFFFAOYSA-N

物化性质

• 沸点：
  403.6±35.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  48.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phenyl-2-isopropyl-5-oxovaleronitrile 、 2-(2-Cyanophenoxy)ethylpiperazine 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1-[(4-cyano-5-methyl-4-phenyl)hexyl]-4-[2-(2-cyanophenoxy)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
• 作为产物：
  描述：

  2-[2-(4-Formyl-piperazin-1-yl)-ethoxy]-benzonitrile 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 2-(2-Cyanophenoxy)ethylpiperazine
  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：US06737425B1

  公开（公告）日：2004-05-18

  The invention provides an N,N-substituted cyclic amine compound represented by the following formula (VIII): wherein A represents an aryl group etc.; E represents a group represented by the formula —CO— or a group represented by the formula —CHOH—; G represents an oxygen atom etc.; J represents an aryl group which may be substituted; R1 represents a lower alkyl group etc.; Alk represents a linear or branched lower alkylene group; n, v, w, x and y are independent of each other and each represents 0 or 1; and p represents 2 or 3, or a pharmacologically acceptable salt thereof. The compound of the present invention or a salt thereof is effective to treat a disease against which calcium antagonism is effective. The disease may include acute ischemic stroke, cerebral apoplexy, cerebral infarction, head trauma, cerebral nerve cell death, Alzheimer disease, Parkinson disease, amyotrophic lateral sclerosis, Huntington disease, cerebral circulatory metabolism disturbance, cerebral function disturbance, pain, spasm, schizophrenia, migraine, epilepsy, maniac-depressive psychosis, nerve degenerative diseases, cerebral ischemia, AIDS dementia complications, edema, anxiety disorder (generalized anxiety disorder) and diabetic neuropathy.

  本发明提供了一种由以下公式（VIII）表示的N，N-取代环状胺化合物：其中A代表芳基等；E代表由公式—CO—或公式—CHOH—表示的基团；G代表氧原子等；J代表可能被取代的芳基基团；R1代表较低的烷基等；Alk代表线性或支链较低的烷基烷基；n、v、w、x和y是独立的，每个代表0或1；p代表2或3，或其药学上可接受的盐。本发明的化合物或其盐对钙拮抗作用有效的疾病具有治疗作用。该疾病可能包括急性缺血性卒中、脑卒中、脑梗塞、头部创伤、脑神经细胞死亡、阿尔茨海默病、帕金森病、肌萎缩性侧索硬化、亨廷顿病、脑循环代谢障碍、脑功能障碍、疼痛、痉挛、精神分裂症、偏头痛、癫痫、躁郁症、神经退行性疾病、脑缺血、艾滋病痴呆并发症、水肿、焦虑症（广泛性焦虑症）和糖尿病神经病变。
• 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