1-(2,6-二氯苯基)哌嗪 | 63386-61-8

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: 1-(2,6-二氯苯基)哌嗪
• 中文别名: 阿立哌唑杂质6
• 英文名称: 1-(2,6-dichlorophenyl)piperazine
• CAS: 63386-61-8
• 化学式: C₁₀H₁₂Cl₂N₂
• mdl: MFCD11872774
• 分子量: 231.125
• InChiKey: JIJMTXRHRBBARH-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：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  8-(2-bromoethyl)-8-azaspiro<4,5>decane-7,9-dione 、 1-(2,6-二氯苯基)哌嗪 在 三乙胺 作用下， 反应 0.5h， 以48%的产率得到8-{2-[4-(2,6-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
  参考文献：
  名称：

  Synthesis, Screening, and Molecular Modeling of New Potent and Selective Antagonists at the α_1d Adrenergic Receptor

  摘要：

  In the present study, more than 75 compounds structurally related to BMY 7378 have been designed and synthesized. Structural variations of each part of the reference molecule have been introduced, obtaining highly selective ligands for the aid adrenergic receptor. The molecular determinants for selectivity at this receptor are essentially, held by the phenyl substituent in the phenylpiperazine moiety. The integration of an extensive SAR analysis with docking simulations using the rhodopsin-based models of the three alpha(1)-AR subtypes and of the 5-HT1A receptor provides significant insights into the characterization of the receptor binding sites as well as into the molecular determinants of ligand selectivity at the alpha(1d)-AR and the 5-HT1A receptors. The results of multiple copies simultaneous search (MCSS) on the substituted phenylpiperazines together with those of manual docking of compounds BAN 7378 and 69 into the putative binding sites of the alpha(1a)-AR, alpha(1b)-AR, alpha(1d)-AR, and the 5-HT1A receptors suggest that the phenylpiperazine moiety would dock into a site formed by amino acids in helices 3, 4, 5, 6 and extracellular loop 2, (E2), whereas the spirocyclic ring of the ligand docks into a site formed by amino acids of helices 1, 2, 3, and 7. This docking mode is consistent with the SAR data produced in this work. Furthermore, the binding site of the imide moiety does not allow for the simultaneous involvement of the two carbonyl oxygen atoms in H-bonding, interactions, consistent with the SAR data, in particular with the results obtained with the lactam derivative 128. The results of docking simulations also suggest that the second and third extracellular loops may act as selectivity filters for the substituted phenylpiperazines. The most potent and selective compounds for alpha(1d) adrenergic receptor, i.e., 69 (Rec 26D/038) and 128 (Rec 26D/073), are characterized by the presence of the 2,5-dichlorophenylpiperazine moiety.

  DOI：

  10.1021/jm030944+
• 作为产物：
  描述：

  二(2-氯乙基)胺盐酸盐 、 2,6-二氯苯胺 反应 0.17h， 以22%的产率得到1-(2,6-二氯苯基)哌嗪
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS
  [FR] DERIVES DE BENZIMIDAZOLES ET UTILISATION DE CEUX-CI EN TANT QUE LIGANDS DU RECEPTEUR VANILLOIDE

  摘要：

  式（I）的化合物在治疗辣椒素受体介导的疾病方面很有用，如炎症性或神经病痛以及涉及感觉神经功能的疾病，如哮喘、类风湿性关节炎、骨关节炎、炎症性肠道疾病、尿失禁、偏头痛和牛皮癣。

  公开号：

  WO2004035549A1

文献信息

• Hydroxamic acid derivatives as metalloprotease inhibitors
  申请人：Burns M. David

  公开号：US20050250789A1

  公开（公告）日：2005-11-10

  The present invention provides compounds of Formula I or II: salt form or prodrug thereof, wherein variables are defined herein, that are modulators of metalloproteases such as matrix metalloproteases (MMPs) and ADAMs. The compounds or compositions described herein can be used to treat diseases associated with metalloprotease activity including, for example, arthritis, cancer, cardiovascular disorders, skin disorders, inflammation or allergic conditions.

  本发明提供了Formula I或II的化合物： 盐形式或其前药，其中变量在此处定义，这些化合物是金属蛋白酶调节剂，如基质金属蛋白酶（MMPs）和ADAMs。本文描述的化合物或组合物可用于治疗与金属蛋白酶活性相关的疾病，包括例如关节炎、癌症、心血管疾病、皮肤疾病、炎症或过敏症状。
• Indol-3-y-carbonyl-piperidin and piperazin-derivatives
  申请人：Bissantz Caterina

  公开号：US20070027163A1

  公开（公告）日：2007-02-01

  The present invention relates to indol-3-yl-carbonyl-piperidin and piperazin derivatives which act as V1a receptor antagonists and which are represented by Formula I: wherein the residues R 1 to R 3 are as defined herein. The invention also relates to pharmaceutical compositions containing such compounds, and methods for preparation of the compounds and compositions. The invention further relates to methods for treating dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder, anxiety and depressive disorders.

  本发明涉及作为V1a受体拮抗剂的吲哒-3-基甲酰哌啶和哌嗪衍生物，其由以下式I表示：其中残基R1至R3如本文所定义。该发明还涉及含有这种化合物的药物组合物，以及制备这些化合物和组合物的方法。该发明还涉及治疗痛经、高血压、慢性心力衰竭、抗利尿素过度分泌、肝硬化、肾病综合征、强迫症、焦虑和抑郁症的方法。
• MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Stichting Het Nederlands Kanker Instituut- Antoni van Leeuwenhoek Ziekenhuis

  公开号：EP3875452A1

  公开（公告）日：2021-09-08

  Provided are compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof: Also provided are compositions comprising compounds of formula (I). The compounds and compositions are also provided for use as medicaments, for example as medicaments useful in the treatment of a condition modulated by monoacylglycerol lipase (MAGL). Also provided are the use of compounds and compositions for the inhibition of monoacylglycerol lipase (MAGL).

  提供的是式(I)的化合物，或其药学上可接受的盐或溶剂： 还提供了包含式(I)化合物的组合物。这些化合物和组合物还可用作药物，例如用于治疗由单酰基甘油脂酶（MAGL）调节的疾病的药物。还提供了利用这些化合物和组合物来抑制单酰基甘油脂酶（MAGL）的用途。
• Antiviral agents
  申请人：SANWA KAGAKU KENKYUSHO CO., LTD.

  公开号：EP0539180A1

  公开（公告）日：1993-04-28

  Antiviral compounds (I): the symbols being as defined in the specification, are efficacious against infections caused by a variety of DNA viruses, RNA viruses and retroviruses. Other specified compounds also exhibit activity. The compounds have a wider spectrum of activity than known antiviral substances.

  抗病毒化合物（I）：在规范中定义的符号对由各种DNA病毒、RNA病毒和逆转录病毒引起的感染具有疗效。其他指定的化合物也表现出活性。这些化合物的活性谱比已知的抗病毒物质更广泛。
• Piperazine derivatives and methods for the preparation thereof and
  申请人：Samjin Pharmaceuticazl Co., Ltd.

  公开号：US05780472A1

  公开（公告）日：1998-07-14

  The present invention relates to novel compound of the general formula(I) and acid addition salt thereof. ##STR1## wherein R.sub.1 and R.sub.2 are independently hydrogen, C.sub.1 -C.sub.8 alkyl or optionally substituted C.sub.3 -C.sub.6 membered cycloalkyl containing C.sub.3 -C.sub.8 ; R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are independently hydrogen, halogen, hydroxy, nitro, C.sub.1 -C.sub.4 lower ester, C.sub.1 -C.sub.4 lower alkyl, C.sub.1 -C.sub.4 lower alkoxy, aryl, arylalkoxy or unsaturated amine; l is an integer of 0-7; m and n are independently an integer of 0-1; W is carbon or nitrogen; X is oxygen, sulfur, optionally substituted imine; Y is nitrogen or oxygen; and Z is hydrogen, C.sub.1 -C.sub.8 alkoxy, aryloxy, C.sub.1 -C.sub.4 alkylamine, cycloamine containing N.sub.1 -N.sub.5 or oxo group. The present compounds of the above formula (I) has no only strong antimumor activities but lower toxicities, and accordingly are expected as novel antitumor agents.

  本发明涉及一般式(I)的新化合物及其酸盐。其中R.sub.1和R.sub.2独立地是氢、C.sub.1-C.sub.8烷基或可选择取代的含有C.sub.3-C.sub.6的C.sub.3-C.sub.8环烷基；R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7独立地是氢、卤素、羟基、硝基、C.sub.1-C.sub.4较低酯基、C.sub.1-C.sub.4较低烷基、C.sub.1-C.sub.4较低烷氧基、芳基、芳基氧基或不饱和胺基；l是0-7的整数；m和n独立地是0-1的整数；W是碳或氮；X是氧、硫、可选择取代的亚胺；Y是氮或氧；Z是氢、C.sub.1-C.sub.8烷氧基、芳氧基、C.sub.1-C.sub.4烷基胺、含N.sub.1-N.sub.5的环胺或氧代基。上述一般式(I)的化合物具有强抗肿瘤活性和较低毒性，因此被期望作为新型抗肿瘤药物。