N-methyl piperazine di-trifluoroacetic acid salt

• 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: N-methyl piperazine di-trifluoroacetic acid salt
• 英文别名: N-methyl piperazine di-trifluoroacetic acid；1-Methylpiperazin-1-ium;2,2,2-trifluoroacetate
• 化学式: 2C₂HF₃O₂*C₅H₁₂N₂
• 分子量: 328.212
• InChiKey: WSDWEUXITOBKCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  56.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-methyl piperazine di-trifluoroacetic acid salt 在 N-甲基吡咯烷酮 、 叔丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 14.33h， 生成
  参考文献：
  名称：

  New Adamantane Phenylalkylamines with σ-Receptor Binding Affinity and Anticancer Activity, Associated with Putative Antagonism of Neuropathic Pain

  摘要：

  The synthesis of:the adamantane phenylalkylamines 2a-d, 3a-c, and 4a-e is described These compounds exhibited significant antiproliferative activity, in vitro, against eight cancer cell lines tested The sigma(1), sigma(2). and Sodium channel binding affinities of compounds 2a, 3a, 4a, and 4c-e were investigated The most interesting analogue, 4a, exhibited significant in vivo anticancer profile on, pancreas, prostate, leukemia, and ovarian cancer cell line Xenografts.-together with,apoptosis and caspase-3 activation. Inhibition of the Cancer cells cycle at the sub-G1 level was also Obtained with 4a. Finally, encouraging results were observed With 4a in vivo on mice, suggesting putative antimetastatic and analgesic activities of this compound.

  DOI：

  10.1021/jm3013008
• 作为产物：
  描述：

  三氟乙酸 在 水 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-methyl piperazine di-trifluoroacetic acid salt
  参考文献：
  名称：

  Active esters of N-substituted piperazine acetic acids, including isotopically enriched versions thereof

  摘要：

  在某些实施例中，这项发明涉及N-取代哌嗪乙酸的活性酯，包括其同位素富集版本。在某些实施例中，这项发明涉及制备N-取代哌嗪乙酸活性酯的方法，包括其同位素富集版本。

  公开号：

  US20050148771A1

文献信息

• [EN] NEW AMMONIUM DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS D'AMMONIUM, PROCÉDÉ DE PRÉPARATION DE CEUX-CI ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2017125224A1

  公开（公告）日：2017-07-27

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6 and Y are as defined in the description. Medicaments.

  式(I)的化合物：其中R1、R2、R3、R4、R5、R6和Y如描述中所定义。药物。
• Isotopically enriched N-substituted piperazine acetic acids and methods for the preparation thereof
  申请人：Dey Subhakar

  公开号：US20050148774A1

  公开（公告）日：2005-07-07

  In some embodiments, this invention pertains to isotopically enriched N-substituted piperazine acetic acids. In some embodiments, this invention pertains to methods for the preparation of isotopically enriched N-substituted piperazine acetic acids.

  在某些实施例中，这项发明涉及同位素富集的N-取代哌嗪乙酸。在某些实施例中，这项发明涉及同位素富集的N-取代哌嗪乙酸的制备方法。
• Isotopically enriched N-substituted piperazines and methods for the preparation thereof
  申请人：Pappin J.C. Darryl

  公开号：US20050148773A1

  公开（公告）日：2005-07-07

  In some embodiments, this invention pertains to isotopically enriched N-substituted piperazines. In some embodiments, this invention pertains to methods for the preparation of isotopically enriched N-substituted piperazines.

  在某些实施例中，这项发明涉及同位素富集的N-取代哌嗪。在某些实施例中，这项发明涉及同位素富集的N-取代哌嗪的制备方法。
• AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS
  申请人：Boueres Julia

  公开号：US20110201657A1

  公开（公告）日：2011-08-18

  The present invention relates to compounds of formula (I) and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly (ADP-ribose) polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.

  本发明涉及公式（I）的化合物及其药学上可接受的盐或互变异构体，这些化合物是聚（ADP核糖）聚合酶（PARP）的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血性疾病、中风、肾衰竭、心血管疾病、除心血管疾病外的其他血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤或皮肤衰老和紫外线诱导的皮肤损伤的治疗，以及作为癌症治疗的化疗或放疗增敏剂。
• NEW AMMONIUM DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Les Laboratoires Servier

  公开号：EP3405471A1

  公开（公告）日：2018-11-28