1-((3,5-二氯苯基)(苯基)甲基)哌嗪 | 1235589-04-4

• 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-((3,5-二氯苯基)(苯基)甲基)哌嗪
• 英文名称: [(3,5-Dichlorophenyl)phenylmethyl]piperazine
• 英文别名: 1-[(3,5-dichlorophenyl)-phenylmethyl]piperazine
• CAS: 1235589-04-4；885950-04-9
• 化学式: C₁₇H₁₈Cl₂N₂
• 分子量: 321.249
• InChiKey: NKUCMZXLDJSIKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-二苯基丙酸 、 1-((3,5-二氯苯基)(苯基)甲基)哌嗪 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 1-[4-[(3,5-Dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008
• 作为产物：
  描述：

  哌嗪 、 3,5-Dichlor-benzhydrylchlorid 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 生成 1-((3,5-二氯苯基)(苯基)甲基)哌嗪
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008

文献信息

• [EN] PROCESS FOR THE PREPARATION OF ROSUVASTATIN<br/>[FR] PROCÉDÉ DE PRÉPARATION DE ROSUVASTATINE
  申请人：KRKA TOVARNA ZDRAVIL D D NOVO

  公开号：WO2010081861A1

  公开（公告）日：2010-07-22

  The invention relates to a process for the preparation of a HMG - CoA reductase inhibitor such as rosuvastatin, as well as intermediates useful in such process. The invention also relates to salts of HMG-CoA reductase inhibitors and processes for preparing same as well as processes for preparing pharmaceutically acceptable salts of HMG-CoA reductase inhibitors.

  该发明涉及一种用于制备类似罗伐他汀的HMG - CoA还原酶抑制剂的过程，以及在该过程中有用的中间体。该发明还涉及HMG-CoA还原酶抑制剂的盐以及制备其的过程，以及制备HMG-CoA还原酶抑制剂的药用可接受盐的过程。
• [EN] PROCESSES FOR PREPARATION OF MONTELUKAST SODIUM AND PURIFICATION OF DIOL INTERMEDIATE<br/>[FR] MÉTHODES DE PRÉPARATION DE MONTÉLUKAST DE SODIUM ET DE PURIFICATION D'UN INTERMÉDIAIRE DIOL
  申请人：IND SWIFT LAB LTD

  公开号：WO2012077133A1

  公开（公告）日：2012-06-14

  A process for preparation of montelukast sodium through novel montelukast amine salts is provided, wherein the amine is selected from 1- (l-naphthyl)ethylamine, S-methyl-L-cysteine, diallylamine or isomers thereof. A process for purification of 2-(2-(3-(S)-(3-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-hydroxylpropyl)-phenyl-2-propanol is also provided, which uses a halogenated hydrocarbon and a nitrile as solvent.

  提供一种通过新颖的蒙特鲁卡斯特胺盐制备蒙特鲁卡斯特钠的方法，其中所选的胺来自1-(1-萘基)乙胺，S-甲基-L-半胱氨酸，二烯基胺或其异构体。还提供了一种用卤代烃和腈作为溶剂的纯化2-(2-(3-(S)-(3-(7-氯-2-喹啉基)-乙烯基)苯基)-3-羟基丙基)-苯基-2-丙醇的方法。
• [EN] MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF<br/>[FR] SELS DE PIPÉRAZINE DE BENZHYDRYLE DE MONTÉLUKAST ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：TORRENT PHARMACEUTICALS LTD

  公开号：WO2009113087A1

  公开（公告）日：2009-09-17

  The invention relates to Benzhydryl piperazine salts of [R-(E)] -1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]phenyl]-3-[2-(1 -hydroxy-1-methylethyl) phenyl] propyl] thio] methyl] cyclopropaneacetic acid represented by the formula (III). Furthermore, the invention relates to the use of Benzhydryl piperazine salts of [R-(E)]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl) phenyl] propyl] thio] methyl] cyclopropaneacetic acid represented by the formula (III) for the preparation of substantially pure [R-(E)]-1-[[[1-[3-[2-(7-chloro-2-quinolinyl) ethenyl]phenyl] -3 -[2-(1-hydroxy-1- methylethyl) phenyl] propyl] thio] methyl] cyclopropane acetic acid or its alkali, salts and pharmaceutical composition comprising the same.

  本发明涉及由式（III）表示的[R-(E)]-1-[[[1-[3-[2-(7-氯-2-喹啉基)乙烯基]苯基]-3-[2-(1-羟基-1-甲基乙基)苯基]丙基]硫]甲基]环丙烷乙酸的苯甲基哌嗪盐。此外，本发明还涉及使用由式（III）表示的苯甲基哌嗪盐[R-(E)]-1-[[[1-[3-[2-(7-氯-2-喹啉基)乙烯基]苯基]-3-[2-(1-羟基-1-甲基乙基)苯基]丙基]硫]甲基]环丙烷乙酸或其碱盐制备基本纯的[R-(E)]-1-[[[1-[3-[2-(7-氯-2-喹啉基)乙烯基]苯基]-3-[2-(1-羟基-1-甲基乙基)苯基]丙基]硫]甲基]环丙烷乙酸或其碱盐和包含它们的药物组合物的用途。
• MONTELUKAST BENZHYDRYL PIPERAZINE SALTS AND PROCESS FOR PREPARATION THEREOF
  申请人：Torrent Pharmaceuticals Ltd.

  公开号：EP2231613B1

  公开（公告）日：2011-10-12
• PROCESS FOR THE PREPARATION OF ROSUVASTATIN
  申请人：KRKA, tovarna zdravil, d.d., Novo mesto

  公开号：EP2387566A1

  公开（公告）日：2011-11-23