恩西拉嗪 | 68576-86-3

• 物质功能分类: 原料药 - 神经系统用药 - 抗焦虑药
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 恩西拉嗪
• 英文名称: Enciprazine
• 英文别名: 1-(3,4,5-trimethoxyphenoxy)-3-<4-(2-methoxyphenyl)piperazinyl>propan-2-ol；(RS)-enciprazine；1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-3-(3,4,5-trimethoxy-phenoxy)-propan-2-ol；(+/-)-1-[3-(3,4,5-trimethoxyphenoxy)-2-hydroxypropyl]-4-(2-methoxyphenyl)-piperazine；1-[3-(3,4,5-trimethoxyphenoxy)-2-hydroxypropyl]-4-(2-methoxyphenyl)-piperazine；1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
• CAS: 68576-86-3
• 化学式: C₂₃H₃₂N₂O₆
• 分子量: 432.517
• InChiKey: KSQCNASWXSCJTD-UHFFFAOYSA-N

物化性质

• 沸点：
  611.5±55.0 °C(Predicted)
• 密度：
  1.171±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  72.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  恩西拉嗪 在 三乙胺 作用下， 以 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 、 乙酰氯 为溶剂， 生成 (+/-)-1-[3-(3,4,5-Trimethoxy-phenoxy)-2-acetoxypropyl]-4-(2-methoxy-phenyl)-piperazine
  参考文献：
  名称：

  1-[3-(3,4,5-Trimethoxyphenoxy)-2-hydroxy-propyl]-4-

  摘要：

  根据一般的公式##STR1##，存在相应的制备化合物，其中R.sup.1是一个氢原子，一个C.sub.2至C.sub.6的烷酰基团，一个C.sub.3至C.sub.6的烯酰基团，一个C.sub.3至C.sub.6的环烷基甲酰基团，一个苯甲酰基团，一个烷氧基苯甲酰基团，一个尼康酰基团，一个噻吩甲酰基团，一个呋喃甲酰基团，一个苯乙酰基团或一个C.sub.1至C.sub.4的烷氧基苯乙酰基团，而R.sup.2代表一个苯基，萘基或吡啶基团或由R.sup.3和R.sup.4组成的这类基团，R.sup.3和R.sup.4可以相同或不同，每个代表氢，羟基，氟，氯，溴，硝基，三氟甲基，C.sub.1至C.sub.6的烷基，C.sub.1至C.sub.6的烷氧基，C.sub.1至C.sub.6的烷基硫基，C.sub.1至C.sub.6的烷基亚磺酰基，C.sub.2至C.sub.6的烷酰基，氨基，酰氨基或酰氧基，其中酰基是R.sup.1定义的类型，以及它们的盐。这些化合物具有药理动力学活性。

  公开号：

  US04335126A1
• 作为产物：
  描述：

  3,4,5-三甲氧基苯酚 在 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 反应 6.0h， 生成 恩西拉嗪
  参考文献：
  名称：

  Chemistry and pharmacology of the non-benzodiazepine anxiolytic enciprazine and related compounds

  摘要：

  In the course of studies on tranquilizers, new non-benzodiazepine-like compounds were synthesized. These are 1-(3,4,5-trimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazinyl]prop an-2-ol (INN: enciprazine) and derivatives thereof which were screened pharmacologically in order to evaluate their central nervous system activity. Compounds with marked antiaggressive and anxiolytic properties but without dependence potential could be detected. Enciprazine was selected for clinical investigations.

  DOI：

  10.1021/jm00173a012

文献信息

• D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF
  申请人：Tsai Guochuan Emil

  公开号：US20190112289A1

  公开（公告）日：2019-04-18

  The present invention relates to compounds of Formula (I): or a pharmaceutically acceptable salt thereof, wherein: each of A, B, C, D, and E, independently, is C, N, N—H, O, S, or absent is a single bond or a double bond; each of X, Y, and Z, independently, is aryl, heteroaryl, aralkyl, H, or absent; each of L 1 and L 2 , independently, is a moiety selected from O, CH 2 , C═O, C 2-10 alkyl, C 2-10 alkenyl, C 2-10 alkynyl, —((CH 2 ) n —W)—, wherein n=0, 1, 2, 3, 4, or 5, and W is O or S, or absent; and when L 2 is absent, Z is aryl or heteroaryl fused with B C. Also provided in the present invention is a method for inhibiting, treating and/or reducing the risk of a neuropsychiatric disorder, comprising administering a subject in need a composition comprising a compound of Formula (I).

  本发明涉及以下式（I）的化合物： 或其药学上可接受的盐，其中：A、B、C、D 和 E 中的每一个独立地是 C、N、N—H、O、S 或不存在 是单键或双键；X、Y 和 Z 中的每一个独立地是芳基、杂环芳基、芳基烷基、H 或不存在；L 1 和 L 2 中的每一个独立地是从 O、CH 2 、C═O、C 2-10 烷基、C 2-10 烯基、C 2-10 炔基、—((CH 2 ) n —W)— 中选择的基团，其中 n=0、1、2、3、4 或 5，W 是 O 或 S，或不存在；当 L 2 不存在时，Z 是与 B 相融合的芳基或杂环芳基。本发明还提供了一种用于抑制、治疗和/或减少神经精神障碍风险的方法，包括向需要的受试者施用包含式（I）化合物的组合物。
• [EN] CARBONATE PRODRUGS AND METHODS OF USING THE SAME<br/>[FR] PROMÉDICAMENTS CARBONATÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：NEUROGESX INC

  公开号：WO2009143297A1

  公开（公告）日：2009-11-26

  The present invention provides carbonate prodrugs which comprise a carbonic phosphoric anhydride prodrug moiety attached to the hydroxyl or carboxyl group of a parent drug moiety. The prodrugs may provide improved physicochemical properties over the parent drug. Also provided are methods of treating a disease or condition that is responsive to the parent drug using the carbonate prodrugs, as well as kits and unit dosages.

  本发明提供了碳酸盐前药，其包括连接到母药基团的羟基或羧基上的碳酸磷酸酐前药基团。这些前药可能比母药具有改进的物理化学性质。还提供了使用碳酸盐前药治疗对母药具有响应的疾病或症状的方法，以及配套工具和单剂量。
• Nitric Oxide Releasing Prodrugs of Therapeutic Agents
  申请人：SATYAM Apparao

  公开号：US20110263526A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。
• Microparticles With Modified Release of At Least One Active Principle and Oral Pharmaceutical Form Comprising Same
  申请人：Dargelas Frederic

  公开号：US20090220611A1

  公开（公告）日：2009-09-03

  The invention concerns microparticulate systems with modified release of oral active principle(s). The invention aims at providing a novel pharmaceutical with time-dependent and pH-dependent release mechanism, enabling: a) the latent period preceding the release of the active principle in the stomach; b) the pH triggering the release of the active principle in the intestine; c) the release speed of the active principle. This is achieved through the use of coated microparticles made from particles of active principle each coated with two coating films A and B. A comprises: film-forming (co)polymer (A1) insoluble in fluids of the gastrointestinal tract; ethylcellulose (co)polymer (A2) soluble in fluids of the gastrointestinal tract; plasticizing polyvinylpyrrolidone (A3); castor oil/optionally a surfactant and/or magnesium stearate lubricant (A4). B comprises a hydrophilic polymer (B1) bearing ionized groups with neutral pH (EUDRAGIT® L100-55) and a hydrophobic compound (B2) (LUBRITAB®). The invention also concerns medicines based on said microparticles.

  该发明涉及具有口服活性原理改性释放的微粒系统。该发明旨在提供一种具有时间依赖性和pH依赖性释放机制的新型药物，实现：a）在胃中释放活性原理之前的潜伏期；b）在肠道中触发释放活性原理的pH值；c）活性原理的释放速度。这是通过使用由活性原理颗粒制成的被包覆的微粒来实现的，每个微粒都涂有两层涂膜A和B。A包括：在胃肠道液体中不溶解的成膜（共）聚合物（A1）；在胃肠道液体中可溶解的乙基纤维素（共）聚合物（A2）；增塑剂聚乙烯吡咯烷酮（A3）；蓖麻油/可选的表面活性剂和/或硬脂酸镁润滑剂（A4）。B包括具有中性pH的离子化基团的亲水性聚合物（B1）（EUDRAGIT® L100-55）和疏水化合物（B2）（LUBRITAB®）。该发明还涉及基于这些微粒的药物。
• Pharmaceutical preparation comprising an active dispersed on a matrix
  申请人：——

  公开号：US20040058896A1

  公开（公告）日：2004-03-25

  The present invention relates to the field of pharmaceutical technology and describes a novel advantageous preparation for an active ingredient. The novel preparation is suitable for producing a large number of pharmaceutical dosage forms. In the new preparation an active ingredient is present essentially uniformly dispersed in an excipient matrix composed of one or more excipients selected from the group of fatty alcohol, triglyceride, partial glyceride and fatty acid ester.

  本发明涉及制药技术领域，描述了一种新的有利的活性成分制备方法。这种新的制备方法适用于生产大量的药物剂型。在这种新的制备方法中，活性成分基本上均匀地分散在由脂肪醇、甘油三酯、部分甘油酯和脂肪酸酯等多种赋形剂中选择的一种或多种赋形剂组成的赋形剂基质中。