2-(piperidin-4-yl)pyridine dihydrochloride | 143924-45-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(piperidin-4-yl)pyridine dihydrochloride
• 英文别名: 2-(Piperidin-4-yl)pyridine hydrochloride；2-piperidin-4-ylpyridine;hydrochloride
• CAS: 143924-45-2
• 化学式: C₁₀H₁₄N₂*2ClH
• 分子量: 235.156
• InChiKey: BFWSEJQRPNTSPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.9
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(piperidin-4-yl)pyridine dihydrochloride 在 氨 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2-(4-哌啶基)吡啶
  参考文献：
  名称：

  [EN] TRIAZOLOBENZODIAZEPINES AND THEIR USE AS VASOPRESSIN ANTAGONISTS
  [FR] TRIAZOLOBENZODIAZEPINES ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DE LA VASOPRESSINE

  摘要：

  式（I）的化合物，或其药用可接受的衍生物，其中R代表H，C1-6烷基，SO2R1，SO2NR1R2或COR1；R1和R2分别代表C1-6烷基；环A代表苯环或吡啶环；可能在焦虑症、心血管疾病（包括心绞痛、动脉粥样硬化、高血压、心力衰竭、水肿、高钠血症）、痛经（原发性和继发性）、子宫内膜异位症、呕吐（包括晕动病）、子宫内生长迟缓、炎症（包括类风湿关节炎）、米特斯默氏综合症、子痫前症、早泄、早产和雷诺氏病的治疗中有用。

  公开号：

  WO2006021882A1
• 作为产物：
  描述：

  3,6-二氢-4-[[(三氟甲基)磺酰]氧基]-1(2H)-吡啶甲酸叔丁酯 在 palladium on activated charcoal 盐酸 、 四(三苯基膦)钯 、 氢气 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， -78.0~60.0 ℃ 、413.68 kPa 条件下， 反应 3.0h， 生成 2-(piperidin-4-yl)pyridine dihydrochloride
  参考文献：
  名称：

  Discovery of 3-Methyl-N-(1-oxy-3‘,4‘,5‘,6‘-tetrahydro-2‘H-[2,4‘-bipyridine]-1‘-ylmethyl)benzamide (ABT-670), an Orally Bioavailable Dopamine D₄ Agonist for the Treatment of Erectile Dysfunction

  摘要：

  The goal of this study was to identify a structurally distinct D-4-selective agonist with superior oral bioavailability to our first-generation clinical candidate 1a (ABT-724) for the potential treatment of erectile dysfunction. Arylpiperazines such as (heteroarylmethyl) piperazine 1a, benzamide 2, and acetamides such as 3a,b exhibit poor oral bioavailability. Structure-activity relationship (SAR) studies with the arylpiperidine template provided potent partial agonists such as 4d and 5k that demonstrated no improvement in oral bioavailability. Further optimization with the (N-oxy-2-pyridinyl) piperidine template led to the discovery of compound 6b (ABT-670), which exhibited excellent oral bioavailability in rat, dog, and monkey (68%, 85%, and 91%, respectively) with comparable efficacy, safety, and tolerability to 1a. The N-oxy-2-pyridinyl moiety not only provided the structural motif required for agonist function but also reduced metabolism rates. The SAR study leading to the discovery of 6b is described herein.

  DOI：

  10.1021/jm060662k

文献信息

• Pyrimidine derivatives and their salts, useful for making benzoxazepine derivatives
  申请人：Suntory Limited

  公开号：US06337397B1

  公开（公告）日：2002-01-08

  A benzoxazepine derivative having the general formula (I) and its salts and medicaments containing the same as effective ingredients: wherein, n is an integer of 2 to 5, R1 indicates a hydrogen atom, halogen atom, C1 to C4 lower alkyl group, C1 to C4 lower alkoxyalkyl group, C1 to C4 halogenoalkyl group, cyano group, or ester group, R2 indicates a hydrogen atom, halogen atom, C1 to C4 lower alkyl group, C1 to C4 lower alkoxy group, or hydroxy group, a dotted line indicates the presence or absence of a binding bond, W indicates C, CH, or CH2 or a nitrogen atom, provided that, when W is a nitrogen atom, Z is bonded to W and the dotted line indicates the absence of a bond, and Z indicates an unsubstituted or substituted aromatic hydrocarbon ring group or an unsubstituted or substituted heterocyclic group).

  一种具有通式（I）的苯并噁唑啉衍生物及其盐和含有其作为有效成分的药物： 其中，n为2至5的整数，R1表示氢原子、卤原子、C1至C4的低碳基团、C1至C4的低碳氧基碳基团、C1至C4的卤代烷基团、氰基或酯基，R2表示氢原子、卤原子、C1至C4的低碳基团、C1至C4的低碳氧基团或羟基，虚线表示结合键的存在或缺失，W表示C、CH或CH2或氮原子，但当W为氮原子时，Z与W结合，虚线表示缺少结合，Z表示未取代或取代的芳香烃环基团或未取代或取代的杂环基团。
• [EN] PHENOXY-PYRIDYL DERIVATIVES<br/>[FR] DÉRIVÉS PHÉNOXY-PYRIDYLÉS
  申请人：PFIZER

  公开号：WO2009081259A1

  公开（公告）日：2009-07-02

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I), as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  披露了化合物及化合物的药物可接受盐，其中化合物具有本说明书中定义的式(I)的结构。还披露了相应的药物组合物、治疗方法、合成方法和中间体。
• CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE
  申请人：SUMITOMO DAINIPPON PHARMA CO., LTD.

  公开号：US20160122319A1

  公开（公告）日：2016-05-05

  The present invention provides a cyclic aminomethyl pyrimidine derivative and a pharmaceutically acceptable salt thereof with high selectivity for dopamine D 4 receptors, which are useful for treating a disease such as attention deficit hyperactivity disorder. Specifically, a compound of formula (1) or a pharmaceutically acceptable salt thereof is provided, wherein n and m are independently 1 or 2; R a is C 1-6 alkyl group, C 3-6 cycloalkyl group, or amino group; R b is hydrogen atom, C 1-6 alkyl group or the like, provided that when R a is amino group, then R b is hydrogen atom; R c1 and R c2 are independently hydrogen atom, or C 1-6 alkyl group; R d1 and R d2 are independently hydrogen atom, fluorine atom or the like; ring Q is an optionally-substituted pyridyl group or an optionally-substituted isoquinolyl group; and the bond having a dashed line is a single or double bond.

  本发明提供了一种对多巴胺D4受体具有高选择性的环状氨基甲基嘧啶衍生物及其药用盐，可用于治疗注意力缺陷多动症等疾病。具体提供了一种公式(1)的化合物或其药用盐，其中n和m独立为1或2；Ra为C1-6烷基、C3-6环烷基或氨基；Rb为氢原子、C1-6烷基等，条件是当Ra为氨基时，Rb为氢原子；Rc1和Rc2独立为氢原子或C1-6烷基；Rd1和Rd2独立为氢原子、氟原子等；环Q为可选取代的吡啶基或可选取代的异喹啉基；且虚线表示的键为单键或双键。
• Acetamides and benzamides that are useful in treating sexual dysfunction
  申请人：——

  公开号：US20030229094A1

  公开（公告）日：2003-12-11

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of sexual dysfunction and to compositions containing compounds of formula (I) for the treatment of sexual dysfunction.

  本发明涉及使用式（I）的化合物治疗性功能障碍，以及含有式（I）化合物的组合物用于治疗性功能障碍。
• NOVEL COMPOUNDS
  申请人：GRAUERT Matthias

  公开号：US20130143870A1

  公开（公告）日：2013-06-06

  This invention relates to compounds of formula I their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, X, R 1 , R 2 , R 3 have meanings given in the description.

  这项发明涉及公式I的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神障碍，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、X、R1、R2、R3在描述中给出了它们的含义。