5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-1H-pyrazole-3-carboxamide | 861151-12-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-1H-pyrazole-3-carboxamide
• 英文别名: Rosonabant；N-piperidinyl-5-(4-chloro-phenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide；N-piperidinyl-5-(4-chloro-phenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-carboxamide；N-piperidin-1-yl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-(1H)-pyrazole-3-carboxamide；(rac)-N-piperidinyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydropyrazole-3-carboxamide；5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazol-3-carboxylic acid piperidine-1-ylamide；5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid iperidine-1-ylamide；(rac)-N-piperidinyl-5-(4-chloro-phenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide；(rac)-N-piperidinyl-5-(4-chloro-phenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-carboxamide；N-piperidinyl-5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4,5-dihydropyrazole-3-carboxamide；(rac)-5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide；5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid piperidine-1-ylamide；5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid piperidin-1-y-amide；5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide；3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
• CAS: 861151-12-4
• 化学式: C₂₁H₂₁Cl₃N₄O
• 分子量: 451.783
• InChiKey: WMMMJGKFKKBRQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-1H-pyrazole-3-carboxamide 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以50%的产率得到N-oxide of N-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carbonyl]-4-methyl-phenylsulfonamide
  参考文献：
  名称：

  WO2007/9698

  摘要：

  公开号：
• 作为产物：
  描述：

  5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (2,6-benzotriazoyl-piperidin-1-yl)amide 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 以41%的产率得到5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-1H-pyrazole-3-carboxamide
  参考文献：
  名称：

  WO2007/9710

  摘要：

  公开号：

文献信息

• 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity
  申请人：Lange H.M. Josephus

  公开号：US20050171179A1

  公开（公告）日：2005-08-04

  The present invention relates to 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives as CB 1 antagonists, to methods for the preparation of these compounds and to novel intermediates useful for the synthesis of said pyrazole derivatives. The invention also relates to the use of a compound disclosed herein for the manufacture of a medicament giving a beneficial effect. The compounds have the general formula (I) wherein the symbols have the meanings given in the specification.

  本发明涉及1,3,5-三取代的4,5-二氢-1H-吡唑烷衍生物作为CB1受体拮抗剂，以及制备这些化合物的方法和用于合成所述吡唑烷衍生物的新型中间体。该发明还涉及利用本文披露的化合物制造具有益处效果的药物。这些化合物具有一般式(I)，其中符号具有规范中给定的含义。
• Gamma-polymorph of a substituted pyrazoline, its preparation and use as medicaments
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1944294A1

  公开（公告）日：2008-07-16

  The present invention relates to the γ-Polymorph of (R)-N-piperidinyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide, methods for its preparation, medicaments comprising this compound as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及(R)-N-哌啶基-5-(4-氯苯基)-1-(2,4-二氯苯基)-4,5-二氢-1H-吡唑-3-甲酰胺的γ-多晶形态，其制备方法，包含该化合物的药物以及用于制备用于治疗人类和动物的药物的药物。
• Alpha-Polymorph of a substituted pyrazoline, its preparation and use as medicaments
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1944293A1

  公开（公告）日：2008-07-16

  The present invention relates to the α-Polymorph of (R)-N-piperidinyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxamide, methods for its preparation, medicaments comprising this compound as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及(R)-N-哌啶基-5-(4-氯苯基)-1-(2,4-二氯苯基)-4,5-二氢-1H-吡唑-3-羧酰胺的α-多晶型，以及其制备方法、包含该化合物的药物以及用于制备用于治疗人类和动物的药物的用途。
• Use of substituted pyrazoline compounds for the preparation of paediatric medicaments
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1743640A1

  公开（公告）日：2007-01-17

  The present invention relates to the use of substituted pyrazoline compounds for the manufacture of a medicament for prophylaxis and/or treatment of a food-related disorder in a paediatric patient, whereby said medicament is administered at a dosage of 0.01 - 20 mg/kg/day of the pyrazoline compound.

  本发明涉及使用取代吡唑啉化合物制备一种药物，用于预防和/或治疗儿科患者的与食物相关的疾病，所述药物以0.01 - 20毫克/千克/天的吡唑啉化合物剂量给予。
• Pharmaceutical formulations of substituted pyrazoline compounds
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1743638A1

  公开（公告）日：2007-01-17

  The present invention relates to the use of substituted pyrazoline compounds characterized in that the pharmaceutical formulation is in the form selected from: • An oral osmotically driven system for the release of the compound • A parenteral Implant • A Multipore Tablet • A Gel-Matrix-Tablet • A Transdermal application system • A parenteral depotsystem • An oral formulation using a sweet tastemakers with a natural flavor or • A chewable formulation, preferably a chewing gum.

  本发明涉及使用取代吡唑啉化合物的药物制剂，其特点在于制剂形式选自：• 用于释放该化合物的口服渗透驱动系统• 用于植入的肌肉注射剂• 多孔片剂• 凝胶-矩阵-片剂• 透皮应用系统• 肌肉注射沉积系统• 使用天然风味的甜味剂的口服制剂或• 可咀嚼的制剂，最好是口香糖。