NIDA 41057 | 502486-92-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: NIDA 41057
• 英文别名: 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-yl amide；1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-1H-pyrazole-3-carboxamide；N-piperidino-5-(4-hydroxyphenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide；1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
• CAS: 502486-92-2
• 化学式: C₂₂H₂₂Cl₂N₄O₂
• 分子量: 445.348
• InChiKey: LMAWZMCTVCMTPC-UHFFFAOYSA-N

物化性质

• 熔点：
  247-248 °C
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  NIDA 41057 在 三氟乙酸 、 偶氮二甲酸二乙酯 、 三乙基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 32.0h， 生成 NIDA 42071
  参考文献：
  名称：

  Synthesis, Structure−Activity Relationship, and Evaluation of SR141716 Analogues:  Development of Central Cannabinoid Receptor Ligands with Lower Lipophilicity

  摘要：

  Exploration of the central CB1 cannabinoid receptors using positron emission tomography (PET) will allow for an understanding of the pharmacological and physiological role played by these receptors in the CNS. Current tracers are highly lipophilic compounds that exhibit very high nonspecific to specific binding ratios and as a result are inapt for use in humans. We have synthesized a series of less lipophilic analogues of SR141716 to serve as potential radioligands. Binding affinities of the series and a functional electrophysiological assay of three of our compounds have been presented.

  DOI：

  10.1021/jm020157x
• 作为产物：
  描述：

  2,4-二氯苯肼盐酸盐 在 氢氧化钾 、 氯化亚砜 、 氢溴酸 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 溶剂黄146 、 甲苯 为溶剂， 反应 50.0h， 生成 NIDA 41057
  参考文献：
  名称：

  Synthesis, Structure−Activity Relationship, and Evaluation of SR141716 Analogues:  Development of Central Cannabinoid Receptor Ligands with Lower Lipophilicity

  摘要：

  Exploration of the central CB1 cannabinoid receptors using positron emission tomography (PET) will allow for an understanding of the pharmacological and physiological role played by these receptors in the CNS. Current tracers are highly lipophilic compounds that exhibit very high nonspecific to specific binding ratios and as a result are inapt for use in humans. We have synthesized a series of less lipophilic analogues of SR141716 to serve as potential radioligands. Binding affinities of the series and a functional electrophysiological assay of three of our compounds have been presented.

  DOI：

  10.1021/jm020157x

文献信息

• Method for preparing N-piperidino-1,5-diphenylpyrazole-3-carboxamide and derivatives
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1947090A1

  公开（公告）日：2008-07-23

  The present invention relates to a method for the preparation of N-Piperidino-1,5-Diphenylpyrazole-3-Carboxamides and their derivatives.

  本发明涉及一种制备N-哌啶基-1,5-二苯基吡唑-3-羧酰胺及其衍生物的方法。
• Pyrazole Derivatives as Cb1 Modulators
  申请人：Cheng Leifeng

  公开号：US20080287517A1

  公开（公告）日：2008-11-20

  The present invention relates to compounds of formula I wherein R 1 represents a group R 5 O— in which R 5 represents a C 3-7 alkyl group substituted by one or more fluoro or R 5 represents a C 3-7 alkylsulphonyl group which is optionally substituted by one or more fluoro; R 2 represents a C 1-4 alkyl group, hydroxy, fluoro, chloro or cyano wherein each R 2 is independently selected when n is >1; R 3 represents a) cyclohexyl optionally substituted by one or more of the following: hydroxy, fluoro, amino, mono or diC 1-3 alkylamino, carboxy or a C 1-4 alkoxycarbonyl group b) piperidino substituted by one or more hydroxy c) unsubstituted piperidino but only when one of the following applies: R 4 represents cyano or R 1 represents 3-fluoropropylsulphonyloxy or R 1 represents 3,3,3-trifluoropropoxy or R 1 represents 3-fluoropropoxy or R 2 is methyl d) phenyl substituted by one or more of the following: hydroxy, halo or a C 1-4 alkyl group e) pyridyl substituted by a C 1-4 alkyl group or f) a C 4-9 alkyl group; R 4 represents cyano or methyl; and n is 1, 2 or 3 and pharmaceutically acceptable salts thereof and processes for preparing such compounds, their use in the treatment of obesity, psychiatric and neurological disorders, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及一种式I的化合物，其中R1表示R5O-基团，其中R5表示一个C3-7烷基基团，该基团被一个或多个氟代或R5表示一个C3-7烷基磺酰基团，该基团可被一个或多个氟代取代；R2表示C1-4烷基基团，羟基，氟，氯或氰，其中当n>1时，每个R2是独立选择的；R3表示a)环己基，可选地被以下一种或多种取代：羟基，氟，氨基，单或双C1-3烷基氨基，羧基或C1-4烷氧羰基基团b)哌啶取代的羟基或多个羟基c)未取代的哌啶，但仅当以下之一适用时：R4表示氰基或R1表示3-氟丙基磺酰氧基或R1表示3,3,3-三氟丙氧基或R1表示3-氟丙氧基或R2为甲基d)苯基，可选地被以下一种或多种取代：羟基，卤素或C1-4烷基基团e)吡啶基，取代为C1-4烷基基团或f)C4-9烷基基团；R4表示氰基或甲基；n为1、2或3，以及其药学上可接受的盐和制备这种化合物的过程，它们在肥胖症、精神和神经疾病的治疗中的用途，以及它们的治疗用途的方法和包含它们的制药组合物。
• Therapeutic agents
  申请人：Cheng Leifeng

  公开号：US20090149463A1

  公开（公告）日：2009-06-11

  The present invention relates to compounds of formula (I) and processes for preparing such compounds, their use in the treatment of obesity, psychiatric and neurological disorders, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及公式(I)的化合物和制备这种化合物的过程，它们在肥胖症、精神和神经疾病的治疗中的使用，以及它们的治疗用途和含有它们的制药组合物的方法。
• WO2007/20388
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS<br/>[FR] AGENTS THERAPEUTIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2005080343A3

  公开（公告）日：2006-01-12