4,4-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione hydrochloride | 83928-66-9

• 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: 4,4-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione hydrochloride
• 英文别名: Gepirone hydrochloride；4,4-dimethyl-1-[4-[-(2-pyrimidinyl)-1-piperazinyl]-butyl]-2,6-piperidinedione hydrochloride；4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydron;chloride
• CAS: 83928-66-9
• 化学式: C₁₉H₂₉N₅O₂*ClH
• 分子量: 395.932
• InChiKey: DGOCVISYYYQFEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,3-二甲基谷酰胺 、 丁螺环酮EP杂质B 在 3,3-二甲基谷酰胺 作用下， 生成 4,4-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione hydrochloride
  参考文献：
  名称：

  2-[4-[(4,4

  摘要：

  已经合成了在4-位上带有2-嘧啶基团的1-[4-(4,4-二烷基-2,6-哌啶二酮-1-基)丁基]哌嗪，并展示了有用的抗焦虑特性。化合物4,4-二甲基-1-[4-[4-(2-嘧啶基)-1-哌嗪基]丁基]-2,6-哌啶二酮具有选择性抗焦虑活性，构成了本发明的首选实施方式。

  公开号：

  US04423049A1

文献信息

• [EN] 1-AMIDO-4-PHENYL-4-BENZYLOXYMETHYL-PIPERIDINE DERIVATIVES AND RELATED COMPOUNDS AS NEUROKININ-1(NK-1) ANTAGONISTS FOR THE TREATMENT OF EMESIS, DEPRESSION, ANXIETY AND COUGH<br/>[FR] DERIVES DE 1-AMIDO-4-PHENYL-4-BENZYLOXYMETHYL-PIPERIDINE ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE LA NEUROKININE-1(NK-1) DANS LE TRAITEMENT DES VOMISSEMENTS, DE LA DEPRESSION, DE L'ANGOISSE ET DE LA TOUX
  申请人：SCHERING CORP

  公开号：WO2004004722A1

  公开（公告）日：2004-01-15

  Disclosed are NK1 antagonists having the formula: Also disclosed are uses of compounds of formula (I) for the manufacture of a medicament for treating a number of physiological disorders, symptoms or diseases, including emesis, depression, anxiety and cough.

  揭示了具有以下结构式的NK1拮抗剂：还揭示了利用结构式（I）化合物制备用于治疗多种生理紊乱、症状或疾病的药物，包括恶心、抑郁、焦虑和咳嗽。
• [EN] FUSED RING NK1 ANTAGONISTS<br/>[FR] ANTAGONISTES DE NK1 A CYCLES FUSIONNES
  申请人：SCHERING CORP

  公开号：WO2005100358A1

  公开（公告）日：2005-10-27

  A compound having the general structure shown in Formula (1) or pharmaceutically acceptable salts and/or solvates thereof are useful in treating diseases or conditions mediated by NK1 receptors, for example various physiological disorders, symptoms or diseases, including emesis, depression, anxiety and cough.

  具有如公式（1）所示的一般结构的化合物或其药用可接受的盐和/或溶剂盐在治疗由NK1受体介导的疾病或症状方面是有用的，例如各种生理紊乱、症状或疾病，包括呕吐、抑郁、焦虑和咳嗽。
• [EN] POLYBIOTIN COMPOUNDS FOR MAGNETIC RESONANCE IMAGINING AND DRUG DELIVERY<br/>[FR] COMPOSES DE POLYBIOTINE POUR IRM ET ADMINISTRATION DE MEDICAMENTS
  申请人：GEN HOSPITAL CORP

  公开号：WO2005032598A1

  公开（公告）日：2005-04-14

  The invention relates generally to biotin-containing compounds that are useful as imaging agents and drug-delivery agents. Another aspect of the invention relates to the aforementioned compounds chelated to a metal atom. In a preferred embodiment, the metal atom is a gadolinium. Another aspect of the invention relates to a compound comprising three biotin moieties and a pharmaceutical agent covalently bound to a heterocyclic core. In certain embodiments, the pharmaceutical agent is an antibiotic, antiviral, or radionuclide. Another aspect of the present invention relates to a method of treating disease involving administering the compounds of the invention to a mammal. Another aspect of the present invention relates to a method of acquiring a magnetic resonance image using the compounds of the invention.

  该发明涉及一般用作成像剂和药物传递剂的含生物素化合物。该发明的另一个方面涉及上述化合物螯合到金属原子上。在一个优选实施例中，金属原子是钆。该发明的另一个方面涉及一种包含三个生物素基团和一个与杂环核共价结合的药物剂的化合物。在某些实施例中，药物剂是抗生素、抗病毒药物或放射性核素。本发明的另一个方面涉及一种涉及向哺乳动物施用该发明化合物以治疗疾病的方法。本发明的另一个方面涉及使用该发明化合物获得磁共振图像的方法。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• [EN] DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF<br/>[FR] LIQUIDES IONIQUES À DOUBLE FONCTION ET SELS DE CEUX-CI
  申请人：UNIV ALABAMA

  公开号：WO2010078300A1

  公开（公告）日：2010-07-08

  Disclosed herein are ionic liquid compositions comprising active pharmaceutical, biological, and nutritional compounds, and methods of use. Further disclosed are compositions of matter including liquid ion pairs alone or in solution and their use; compositions of ionic liquids that are 'solvated,' for example, 'hydrated' and their uses.

  本文揭示了包括活性药物、生物学和营养化合物的离子液体组合物，以及其使用方法。进一步揭示了包括液态离子对的物质组合物，单独或溶解后使用；以及离子液体的“溶剂化”组合物，例如“水合”的组合物及其用途。