2,2-dimethylpiperazine dihydrochloride | 128427-07-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2,2-dimethylpiperazine dihydrochloride
• 英文别名: 2,2-Dimethylpiperazine;hydrochloride；2,2-dimethylpiperazine;hydrochloride
• CAS: 128427-07-6
• 化学式: C₆H₁₄N₂*2ClH
• 分子量: 187.112
• InChiKey: WBWKPWZXTXADKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.38
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-环丙基-6,7-二氟-1,4-二氢-4-氧喹啉-3-羧酸 、 2,2-dimethylpiperazine dihydrochloride 在 N-甲基吡咯烷酮 、 三乙胺 作用下， 反应 18.0h， 以70%的产率得到1-cyclopropyl-6-fluoro-7-(3,3-dimethylpiperazin-1-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid hydrochloride
  参考文献：
  名称：

  Syntheses and antibacterial activity of novel 6-fluoro-7-(gem-disubstituted piperazin-1-yl)-quinolines

  摘要：

  已经制备并评估了一系列含有在C-7位置带有非环状或环状的双取代哌嗪基团的喹啉和萘啶类抗菌剂，用于对多种革兰氏阳性菌和革兰氏阴性菌的体外和体内抗菌活性的研究。然而，它们并不像在C-7位置带有单取代哌嗪基团的喹诺酮或萘啶那样有效。这些衍生物的化学合成也被描述了。

  DOI：

  10.1139/v92-171
• 作为产物：
  描述：

  ethyl 2-N-carbobenzyloxyglycylamino-2-methylpropionate 在 palladium on activated charcoal 盐酸 、 硼烷四氢呋喃络合物 、 氢气 作用下， 以 乙醇 为溶剂， 60.0 ℃ 、405.3 kPa 条件下， 反应 22.0h， 生成 2,2-dimethylpiperazine dihydrochloride
  参考文献：
  名称：

  Syntheses and antibacterial activity of novel 6-fluoro-7-(gem-disubstituted piperazin-1-yl)-quinolines

  摘要：

  已经制备并评估了一系列含有在C-7位置带有非环状或环状的双取代哌嗪基团的喹啉和萘啶类抗菌剂，用于对多种革兰氏阳性菌和革兰氏阴性菌的体外和体内抗菌活性的研究。然而，它们并不像在C-7位置带有单取代哌嗪基团的喹诺酮或萘啶那样有效。这些衍生物的化学合成也被描述了。

  DOI：

  10.1139/v92-171

文献信息

• Synthesis and evaluation of novel orally active p53–MDM2 interaction inhibitors
  作者：Masaki Miyazaki、Hiroyuki Naito、Yuuichi Sugimoto、Keisuke Yoshida、Haruko Kawato、Tooru Okayama、Hironari Shimizu、Masaya Miyazaki、Mayumi Kitagawa、Takahiko Seki、Setsuko Fukutake、Yoshinobu Shiose、Masashi Aonuma、Tsunehiko Soga

  DOI：10.1016/j.bmc.2013.04.056

  日期：2013.7

  We have discovered and reported potent p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold. Our lead showed strong activity in vitro, but did not exhibit antitumor efficacy in vivo for the low metabolic stability. In order to obtain orally active compounds, we executed further optimization of our lead by the improvement of physicochemical properties. Thus we furnished optimal compounds by introducing an alkyl group onto the pyrrolidine at the C-2 substituent to prevent the metabolism; and modifying the terminal substituent of the proline motif improved solubility. These optimal compounds exhibited good PK profiles and significant antitumor efficacy with oral administration on a xenograft model using MV4-11 cells having wild type p53. (C) 2013 Elsevier Ltd. All rights reserved.
• DEUTERATED 1-PIPERAZINO-3-PHENYL INDANES FOR TREATMENT OF SCHIZOPHRENIA
  申请人：H. Lundbeck A/S

  公开号：EP2720989A1

  公开（公告）日：2014-04-23
• [EN] DEUTERATED 1-PIPERAZINO-3-PHENYL INDANES FOR TREATMENT OF SCHIZOPHRENIA<br/>[FR] 1-PIPÉRAZINO-3-PHÉNYLINDANES DEUTÉRÉS POUR LE TRAITEMENT DE LA SCHIZOPHRÉNIE
  申请人：LUNDBECK & CO AS H

  公开号：WO2012176066A1

  公开（公告）日：2012-12-27

  The present invention relates to deuterated 1-piperazino-3-phenyl-indanes and salts thereof with activity at dopamine receptors D1 and D2 as well as the 5HT2 receptors in the central nervous system, to medicaments comprising such compounds as active ingredients, to the use of such compounds in the treatment of diseases in the central nervous system, and to methods of treatment comprising administration of such compounds.
• Syntheses and antibacterial activity of novel 6-fluoro-7-(<i>gem</i>-disubstituted piperazin-1-yl)-quinolines
  作者：Daniel T. W. Chu、Akiyo K. Claiborne、Jacob J. Clement、Jacob J. Plattner

  DOI：10.1139/v92-171

  日期：1992.5.1

  A series of quinoline and naphthyridine antibacterial agents possessing an acyclic or cyclic gem-disubstituted piperazine substituent at the C-7 position have been prepared and evaluated in vitro and in vivo for antibacterial activity against a variety of Gram-positive and Gram-negative organisms. They are, however, not as active as quinolones or naphthyridines with a monosubstituted piperazine substituent at C-7. The chemical synthesis of these derivatives is also described.

  已经制备并评估了一系列含有在C-7位置带有非环状或环状的双取代哌嗪基团的喹啉和萘啶类抗菌剂，用于对多种革兰氏阳性菌和革兰氏阴性菌的体外和体内抗菌活性的研究。然而，它们并不像在C-7位置带有单取代哌嗪基团的喹诺酮或萘啶那样有效。这些衍生物的化学合成也被描述了。