1-[苯基(吡啶-4-基)甲基]哌嗪 | 104523-21-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-[苯基(吡啶-4-基)甲基]哌嗪
• 英文名称: N-[(pyridin-4-yl)-phenylmethyl]piperazine
• 英文别名: 1-[phenyl(pyridin-4-yl)methyl]piperazine；1-(phenyl-pyridin-4-yl-methyl]-piperazine；N-[(4-pyridyl)-phenylmethyl]piperazine；1-[phenyl(4-pyridyl)methyl]piperazine；Piperazine, 1-(phenyl-4-pyridinylmethyl)-
• CAS: 104523-21-9
• 化学式: C₁₆H₁₉N₃
• 分子量: 253.347
• InChiKey: AJWYEGULHTYSBW-UHFFFAOYSA-N

物化性质

• 沸点：
  391.9±37.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[苯基(吡啶-4-基)甲基]哌嗪 生成 5-[3-(4-(phenyl-pyridin-4-ylmethyl)piperazine-1-yl)-2-hydroxypropoxy]quinoline
  参考文献：
  名称：

  Quinoline derivatives

  摘要：

  新颖的杂环化合物，以以下通用公式表示，作为抗癌药物增效剂，对抗癌药物的纳入癌细胞具有增效作用，这些化合物通过例如将由异环化合物与环氧卤水合物反应得到的环氧化合物与胺衍生物反应合成。

  公开号：

  US05112817A1
• 作为产物：
  描述：

  苯基(4-吡啶基)甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 1.0h， 生成 1-[苯基(吡啶-4-基)甲基]哌嗪
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationships of pyrazolo[3,4-d]pyrimidines: a novel class of potent enterovirus inhibitors

  摘要：

  A series of pyrazolo[3,4-d]pyrimidines were synthesized. and their antiviral activity was evaluated in a plaque reduction assay. It is very interesting that this class of compounds provide remarkable evidence that they are very specific for human enteroviruses, in particular, coxsackieviruses. Some derivatives proved to be highly effective in inhibiting enterovirus replication at nanomolar concentrations. SAR studies revealed that the phenyl group at the N-I position and the hydrophobic diarylmethyl group at the piperazine largely influenced the in vitro antienteroviral activity of this new class of potent antiviral agents. It was found that the pyrazolo[3,4-d]pyrimidines with a thiophene substituent, such as compounds 20 24, in general exhibited high activity against coxsackievirus B3 (IC50 = 0.063-0.089 muM) and moderate activity against enterovirus 71 (IC50 = 0.32-0.65 muM) with no apparent cytotoxic effect toward RD (rhabdomyosarcoma) cell lines (CC50>25 muM). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.092

文献信息

• Diarylamine derivatives as calcium channel blockers
  申请人：Pajouhesh Hassan

  公开号：US20050227999A1

  公开（公告）日：2005-10-13

  Compounds which are derivatives of diarylamine substituted piperazine and amino-piperidine are useful in treating conditions mediated by calcium ion channel activity.

  衍生自二芳基胺基哌嗪和氨基哌啶的化合物在治疗受钙离子通道活性介导的疾病方面具有用处。
• Thiazolidinecarboxylic acid amide derivatives and their therapeutic uses
  申请人：Sankyo Company, Limited

  公开号：US05470851A1

  公开（公告）日：1995-11-28

  Thiazolidinecarboxylic acid amides having combined antiallergic and antiasthmatic activities with an antagonist activity against platelet Activating Factor and having the following general formula (I) ##STR1##

  具有抗过敏和抗哮喘活性以及对血小板活化因子的拮抗作用的噻唑啉羧酸酰胺，其具有以下通式（I）：##STR1##
• Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use
  申请人：Sankyo Company Limited

  公开号：EP0463873A1

  公开（公告）日：1992-01-02

  Compounds of formula (I): [in which R¹ is optionally substituted pyridyl; R² is hydrogen, alkyl or optionally substituted pyridyl; R³ is hydrogen or various organic groups; R⁴ is hydrogen or alkyl; A is alkylene; and Z is a substituted piperidyl, piperazinyl or homopiperazinyl group which is substituted at least by a di-substituted methyl, methoxy or methylene group, each substituent being phenyl or heterocyclyl]; and pharmaceutically acceptable salts thereof have anti-allergic, anti-asthma and anti-PAF activities. Methods of making the compounds are also provided.

  式(I)化合物： [其中 R¹ 是任选取代的吡啶基；R² 是氢、烷基或任选取代的吡啶基；R³ 是氢或各种有机基团；R⁴ 是氢或烷基；A 是亚烷基；和 Z 是至少被二取代甲基、甲氧基或亚甲基取代的取代哌啶基、哌嗪基或均哌嗪基，每个取代基都是苯基或杂环基]；其药学上可接受的盐类具有抗过敏、抗哮喘和抗PAF 活性。还提供了制造这些化合物的方法。
• PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF
  申请人：Azwell Inc.

  公开号：EP1020443A1

  公开（公告）日：2000-07-19

  A process for advantageously producing compounds of general formula (III), wherein R1 represents hydrogen, alkyl having 1 to 6 carbon atoms, alkoxyl having 1 to 4 carbon atoms, halogen, hydroxyl, trifluoromethyl, nitro or amino, R2 represents substituted or unsubstituted phenyl or pyridyl, R3 and R4 each represents hydrogen, alkyl having 1 to 6 carbon atoms, hydroxyalkyl having 1 to 4 carbon atoms, cycloalkyl having 3 to 8 carbon atoms, or substituted or unsubstituted phenyl; and Y represents alkylene having 1 to 12 carbon atoms, and salts thereof.

  一种有利地生产通式(III)化合物的工艺，其中 R1 代表氢、具有 1 至 6 个碳原子的烷基、具有 1 至 4 个碳原子的烷氧基、卤素、羟基、三氟甲基、硝基或氨基，R2 代表取代或未取代的苯基或吡啶基，R3 和 R4 各自代表氢、具有 1 至 6 个碳原子的烷基、具有 1 至 4 个碳原子的羟烷基、具有 3 至 8 个碳原子的环烷基或取代或未取代的苯基；Y 代表具有 1 至 12 个碳原子的亚烷基及其盐类。
• Synthesis and Structure-Activity Relationships of 6-Heterocyclic-Substituted Purines as Inactivation Modifiers of Cardiac Sodium Channels
  作者：Kimberly G. Estep、Kurt A. Josef、Edward R. Bacon、Philip M. Carabateas、Squire Rumney、Garry M. Pilling、Douglas S. Krafte、Walter A. Volberg、Kathleen Dillon、Nancy Dugrenier、G. Maurice Briggs、Paul C. Canniff、William P. Gorczyca、Gerald P. Stankus、Alan M. Ezrin

  DOI：10.1021/jm00014a011

  日期：1995.7

  Purine-based analogs of SDZ 211-500 (5) were prepared and evaluated as inactivation modifiers of guinea pig or human cardiac sodium (Na) channels expressed in Xenopus oocytes. Substances which remove or slow the Na channel inactivation process in cardiac tissue are anticipated to prolong the effective refractory period and increase inotropy and thus have potential utility as antiarrhythmic agents. Heterocyclic substitution at the 6-position of the purine ring resulted in compounds with increased Na activity and potency, with 5-membered heterocycles being optimal. Only minor modifications to the benzhydrylpiperazine side chain were tolerated. Selected compounds which delayed the inactivation of Na channels were found to increase refractoriness and contractility in a rabbit Langendorff heart model, consistent with the cellular mechanism. Activity in both the oocyte and rabbit heart assays was specific to the S enantiomers. Preliminary in vivo activity has been demonstrated following intravenous infusion. The most promising compound on the basis of in vitro data is the formylpyrrole (S)-74, which is 25-fold more potent than DPI 201-106 (1) in the human heart Na channel assay.