5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid | 1029820-46-9

• 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)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
• 英文别名: (rac)-5-(4-chloro-phenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-carboxylic acid；5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-pyrazole-3-carboxylic acid；5-(4-chloro-phenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-carboxylic acid；racemic 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-pyrazole-3-carboxylic acid；3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
• CAS: 1029820-46-9
• 化学式: C₁₆H₁₁Cl₃N₂O₂
• 分子量: 369.635
• InChiKey: UNPAUVVONQMENT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.9
• 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)-4,5-dihydro-1H-pyrazole-3-carboxylic acid 生成 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydropyrazole-3-carboxylic acid chloride
  参考文献：
  名称：

  Substituted pyrazoline compounds, their preparation and use as medicaments

  摘要：

  本发明涉及取代吡唑烷化合物、其制备方法、包含这些化合物的药物以及它们用于制备用于治疗人类和动物的药物的用途。

  公开号：

  US20060020010A1
• 作为产物：
  描述：

  5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以2.9 g的产率得到5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Diaryl Dihydropyrazole-3-carboxamides with Significant In Vivo Antiobesity Activity Related to CB1 Receptor Antagonism:  Synthesis, Biological Evaluation, and Molecular Modeling in the Homology Model

  摘要：

  A number of analogues of diaryl dihydropyrazole-3-carboxamides have been synthesized. Their activities were evaluated for appetite suppression and body weight reduction in animal models. Depending on the chemical modification of the selected dihydropyrazole scaffold, the lead compounds-the bisulfate salt,of (+/-)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid morpholin-4-ylamide 26 and the bisulfate salt of (-)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole3-carboxylic acid morpholin-4-ylamide 30-showed significant body weight reduction in vivo, which is attributed to their CB1 antagonistic activity and exhibited a favorable pharmacokinetic profile. The molecular modeling studies also showed interactions of two isomers of (+/-)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)4,5-dihydro- 1H-pyrazole-3-carboxylic acid morpholin-4-ylamide 9 with CB I receptor in the homology model similar to those of N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazole-carboxarnide (rimonabant) 1 and 4S-(-)-3-(4-chlorophenyl)-N-methyl-N'-[(4-chlorophenyl)-sulfonyl]-4-pheny1-4,5-dihydro-1H-pyrazole-1-carboxamidine (SLV-319) 2.

  DOI：

  10.1021/jm061490u

文献信息

• 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。
• Use of substituted pyrazoline compounds for the treatment of coagulation related diseases
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1743639A8

  公开（公告）日：2007-04-25

  The present invention relates to the use of substituted pyrazoline compounds for the treatment of coagulation related diseases in humans and animals.

  本发明涉及在人类和动物中使用取代吡唑啉化合物治疗与凝血有关的疾病。