(E)-4-(4-chlorophenyl)-3-methyl-2-oxo-but-3-enoic acid | 920972-73-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-4-(4-chlorophenyl)-3-methyl-2-oxo-but-3-enoic acid
• 英文别名: 4-(4-chlorophenyl)-3-methyl-2-oxo-but-3-enoic acid；4-(4-chlorophenyl)-3-methyl-2-oxo-3-butenoic acid；(E)-4-(4-chlorophenyl)-3-methyl-2-oxobut-3-enoic acid
• CAS: 920972-73-2
• 化学式: C₁₁H₉ClO₃
• 分子量: 224.644
• InChiKey: ZEIBHQXEPPDOEO-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-4-(4-chlorophenyl)-3-methyl-2-oxo-but-3-enoic acid 在 trimethylsilyl diazomethane 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 1.5h， 以49%的产率得到4-(4-chlorophenyl)-3-methyl-2-oxo-but-3-enoic acid methyl ester
  参考文献：
  名称：

  Active substance combination for the treatment of diabetes

  摘要：

  本发明涉及一种活性物质组合，包括至少一种取代吡唑啉化合物和至少一种药物，用于治疗糖尿病，包括该活性物质组合的药物、包括该活性物质组合的制药配方以及利用该活性物质组合制造药物的用途。

  公开号：

  EP1946778A1
• 作为产物：
  描述：

  4-氯苯甲醛 在 sodium hydroxide 作用下， 以 盐酸 、 乙醇 、 水 为溶剂， 以86%的产率得到(E)-4-(4-chlorophenyl)-3-methyl-2-oxo-but-3-enoic acid
  参考文献：
  名称：

  Pharmaceutical formulation comprising a CB1-receptor compound in a solid solution and/or solid dispersion

  摘要：

  本发明涉及一种制药配方，其中包括5-(4-氯苯基)-1-(2,4-二氯苯基)-N-(顺-2,6-二甲基哌啶-1-基)-4-甲基-4,5-二氢-1H-吡唑-3-羧酰胺的混合物或(S)-对映体或它们的固溶体和/或固态分散体。

  公开号：

  EP2151234A1

文献信息

• Substituted pyrazoline for preventing weight gain
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1946777A1

  公开（公告）日：2008-07-23

  The present invention relates to an active substance combination comprising at least one substituted pyrazoline compound and at least one drug, known to produce weight-gain as a side effect, a medicament comprising said active substance combination, a pharmaceutical formulation comprising said active substance combination and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种活性物质组合，包括至少一种取代吡唑啉化合物和至少一种药物，该药物以体重增加作为副作用而知名，包括所述活性物质组合的药物、包括所述活性物质组合的药物制剂、以及利用所述活性物质组合制造药物。
• 4,5-Dihydro-1H-pyrazole derivatives, their preparation and use as medicaments
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1743890A1

  公开（公告）日：2007-01-17

  The present invention relates to 4-substituted pyrazoline compounds of formula I methods for their preparation, medicaments comprising these compounds as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及公式I的4-取代吡唑烷化合物及其制备方法，包括这些化合物的药物以及它们用于制备治疗人类和动物药物的药物的用途。
• 4-methyl-4, 5-dihydro-1H-pyrazole-3-carboxamide useful as a cannabinoid CB1 neutral antagonist
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2108643A1

  公开（公告）日：2009-10-14

  The present invention relates to 4-methyl-4,5-dihydro-1H-pyrazole-3-carboxamide, and pharmaceutically acceptable salts and solvates thereof. It further concerns pharmaceutical compositions comprising this compound as active ingredient as well as processes and intermediates for preparing this compound and compositions. The referred compound is a cannabinoid CB1 neutral antagonist useful in the prophylaxis and treatment of food intake disorders.

  本发明涉及4-甲基-4,5-二氢-1H-吡唑-3-甲酰胺及其药学上可接受的盐和溶剂。它进一步涉及以该化合物为活性成分的制药组合物，以及制备该化合物和组合物的过程和中间体。所述化合物是一种大麻素CB1中和拮抗剂，可用于预防和治疗进食障碍。
• Cinchonidine salt of (4S,5S)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid, useful as intermediate in the preparation of cannabinoid CB1 neutral antagonists
  申请人：Esteve Química, S.A.

  公开号：EP2314578A1

  公开（公告）日：2011-04-27

  The present invention relates to a cinchonidine salt of (4S,5S)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid. This cinchonidine salt is prepared by enantiomeric resolution of a compound of formula (I) comprising: the reaction of compound of formula (I) with cinchonidine in a suitable solvent, thereby resulting in the cinchonidine salt of the enantiomer (4S,5S) of formula (II); and optionally isolating said salt. The cinchonidine salt according to formula (II) is a useful intermediate in the preparation of a cannabinoid CB1 neutral antagonist.

  本发明涉及(4S,5S)-5-(4-氯苯基)-1-(2,4-二氯苯基)-4-甲基-4,5-二氢-1H-吡唑-3-羧酸的金雀碱盐。该金雀碱盐通过在适当溶剂中将化合物(I)与金雀碱反应而制备得到，从而得到化合物(I)的对映体（4S,5S）的金雀碱盐；并且可选择性地分离所述盐。根据化合物(II)的金雀碱盐是制备大麻素CB1中性拮抗剂的有用中间体。
• 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments
  申请人：TORRENS Antoni

  公开号：US20070073056A1

  公开（公告）日：2007-03-29

  The present invention relates to 4-substituted pyrazoline compounds, methods for their preparation, medicaments comprising these compounds as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及4-取代吡唑啉化合物，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。