1-哌嗪丁胺,4-[(4-氯苯基)苯基甲基]- | 101620-08-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-哌嗪丁胺,4-[(4-氯苯基)苯基甲基]-
• 英文名称: 4-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]butan-1-amine
• CAS: 101620-08-0
• 化学式: C₂₁H₂₈ClN₃
• 分子量: 357.926
• InChiKey: CSGAIIOHZVXJRX-UHFFFAOYSA-N

物化性质

• 沸点：
  475.2±45.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  32.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-哌嗪丁胺,4-[(4-氯苯基)苯基甲基]- 、 2-萘甲酰氯 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 N-(4-{4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl}butyl)naphthalene-2-carboxamide
  参考文献：
  名称：

  Hybrid approach for the design of highly affine and selective dopamine D3 receptor ligands using privileged scaffolds of biogenic amine GPCR ligands

  摘要：

  A series of compounds containing privileged scaffolds of the known histamine H-1 receptor antagonists cetirizine, mianserin, ketotifen, loratadine, and bamipine were synthesized for further optimization as ligands for the related biogenic amine binding dopamine D-3 receptor. A pharmacological screening was carried out at dopamine D-2 and D-3 receptors. In the preliminary testing various ligands have shown moderate to high affinities for dopamine D-3 receptors, for example, N-(4-{4-[benzyl(phenyl)amino]piperidin-1-yl} butylnaphthalen-2-carboxamide (19a) (hD(3) K-i = 0.3 nM; hD(2) K-i = 703 nM), leading to a selectivity ratio of 2343. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.034
• 作为产物：
  描述：

  N-(4-{4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl}butyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 甲醇 为溶剂， 生成 1-哌嗪丁胺,4-[(4-氯苯基)苯基甲基]-
  参考文献：
  名称：

  Hybrid approach for the design of highly affine and selective dopamine D3 receptor ligands using privileged scaffolds of biogenic amine GPCR ligands

  摘要：

  A series of compounds containing privileged scaffolds of the known histamine H-1 receptor antagonists cetirizine, mianserin, ketotifen, loratadine, and bamipine were synthesized for further optimization as ligands for the related biogenic amine binding dopamine D-3 receptor. A pharmacological screening was carried out at dopamine D-2 and D-3 receptors. In the preliminary testing various ligands have shown moderate to high affinities for dopamine D-3 receptors, for example, N-(4-{4-[benzyl(phenyl)amino]piperidin-1-yl} butylnaphthalen-2-carboxamide (19a) (hD(3) K-i = 0.3 nM; hD(2) K-i = 703 nM), leading to a selectivity ratio of 2343. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.034

文献信息

• Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acrylamides
  作者：Yoshinori Nishikawa、Tokuhiko Shindo、Katsumi Ishii、Hideo Nakamura、Tatsuya Kon、Hitoshi Uno

  DOI：10.1021/jm00123a012

  日期：1989.3

  A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (3-pyridyl)acrylamide] against the rat passive cutaneous anaphylaxis (PCA) reaction and the enzyme 5-lipoxygenase. Particularly, (E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (6-methyl-3-pyridyl)acrylamide (17p) showed an ED50 value of 3.3 mg/kg po in the rat PCA test, which was one-fifth of ketotifen and oxatomide. As compared with ketotifen and oxatomide, compound 17p (AL-3264) possessed a better balance of antiallergic properties due to inhibition of chemical mediator release, inhibition of 5-lipoxygenase, and antagonism of histamine.
• [EN] T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE CANAL CALCIQUE DE TYPE T ET LEURS PROCÉDÉS D'UTILISATION
  申请人：PRAXIS PREC MEDICINES INC

  公开号：WO2018118101A1

  公开（公告）日：2018-06-28

  Described herein are compounds useful for preventing and/or treating a disease or condition relating to aberrant function of a T-type calcium channel, such as epilepsy and epilepsy syndromes (e.g., absence seizures, juvenile myoclonic epilepsy, or a genetic epilepsy) and mood disorders. The present invention further comprises methods for modulating the function of a T-type calcium channel.