4,5-dihydro-1-(3-methylphenyl)-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazole | 251443-60-4

• 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: 4,5-dihydro-1-(3-methylphenyl)-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazole
• 英文别名: 4,5-Dihydro-1-(3-methylphenyl)-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazol；2-(3-Methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
• CAS: 251443-60-4
• 化学式: C₁₈H₁₇F₃N₂O₂S
• 分子量: 382.406
• InChiKey: SWAUQQYFPQVQSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  58.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (E)-1,1,1-trifluoro-4-(4-(methylsulfonyl)phenyl)but-3-en-2-one 、 3-甲基苯肼盐酸盐 生成 4,5-dihydro-1-(3-methylphenyl)-5-(4-methylsulphonylphenyl)-3-trifluoromethyl-1H-pyrazole
  参考文献：
  名称：

  Pyrazoline derivatives, their preparation and application as medicaments

  摘要：

  本发明涉及新的吡唑啉衍生物及其生理上可接受的盐，以及它们的制备方法和作为药物的应用。

  公开号：

  US06353117B1

文献信息

• PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1083171A1

  公开（公告）日：2001-03-14

  The present invention relates to new pyrazoline derivatives having the general formula (I), as well as to their physiologically acceptable salts, to process in human/veterinary therapy and to pharmaceutical compositions containing them. The new compounds of the invention can be used in the pharmaceutical industry as intermediates and for the preparation of medicaments. In particular, they can be used for the preparation of medicaments used for the treatment of inflammation and other troubles associated to inflammation and other process mediated by cyclooxygenase-2, for example arthritis, pain treatment or fever treatment.

  本发明涉及具有通式（I）的新吡唑啉衍生物及其生理上可接受的盐类、人类/兽医治疗过程以及含有它们的药物组合物。本发明的新化合物可作为中间体用于制药业和制备药物。特别是，它们可用于制备治疗炎症和与炎症有关的其他问题以及环氧化酶-2 介导的其他过程的药物，例如关节炎、疼痛治疗或发烧治疗。
• Utilization of pyrazoline derivatives in the preparation of a medicament for the prevention and/or treatment of proliferative cell diseases
  申请人：——

  公开号：US20040034082A1

  公开（公告）日：2004-02-19

  Derivatives of pyrazoline (I), wherein R 1 is hydrogen, methyl, fluoromethyl, difluoromethyl, trifluoromethyl, carboxylic acid, alkyl carboxylate with 1 to 4 carbon atoms, carboxamide or cyano, R 1 is hydrogen or methyl, R 3 , R 4 , R 7 and R 8 , independently are hydrogen, chlorine, fluorine, methyl, trifluoromethyl or methoxy, R 5 and R 6 , independently, are hydrogen, chlorine, fluorine, methyl, trifluoromethyl, methoxy, trifluoromethoxy, methylsulphonyl, aminosulphonyl or acetylaminosulphonyl, with the condition that one of the substituents R 5 or R 6 is a methylsulphonyl, aminosulphonyl or acetylaminosulphonyl group, and with the condition that when R 1 is methyl, then R 2 is hydrogen or methyl, R 3 and R 8 , independently are hydrogen, chlorine, fluorine, methyl, or trifluoromethyl, R 4 is hydrogen, fluorine, methyl, trifluoromethyl or methoxy, R 5 is fluorine, trifluoromethyl, trifluoromethoxy, methylsulphonyl, aminosulphonyl or acetylaminosulphonyl, R 6 is hydrogen, chlorine, fluorine, methyl, trifluoromethyl, methoxy, trifluoromethoxy, methylsulphonyl, aminosulphonyl or acetylaminosulphonyl, with the condition that one of the substituents R 5 or R 6 is a methylsulphonyl, aminosulphonyl or acetylaminosulphonyl group, and R 7 represents an atom of hydrogen, chlorine, fluorine, a methyl, trifluoromethyl or methoxy group; useful for preventing or treating cell proliferation diseases. 1

  吡唑啉 (I) 的衍生物，其中 R 1 是氢、甲基、氟甲基、二氟甲基、三氟甲基、羧酸、1 至 4 个碳原子的烷基羧酸酯、羧酰胺或氰基，R 1 是氢或甲基，R 3 , R 4 , R 7 和 R 8 分别为氢、氯、氟、甲基、三氟甲基或甲氧基，R 5 和 R 6 独立地为氢、氯、氟、甲基、三氟甲基、甲氧基、三氟甲氧基、甲基磺酰基、氨基磺酰基或乙酰氨基磺酰基，条件是其中一个取代基 R 5 或 R 6 是甲磺酰基、氨磺酰基或乙酰氨基磺酰基，条件是当 R 1 为甲基时，则 R 2 是氢或甲基，R 3 和 R 8 分别为氢、氯、氟、甲基或三氟甲基，R 4 是氢、氟、甲基、三氟甲基或甲氧基，R 5 是氟、三氟甲基、三氟甲氧基、甲基磺酰基、氨基磺酰基或乙酰氨基磺酰基，R 6 是氢、氯、氟、甲基、三氟甲基、甲氧基、三氟甲氧基、甲基磺酰基、氨基磺酰基或乙酰氨基磺酰基，条件是其中一个取代基 R 5 或 R 6 是甲磺酰基、氨磺酰基或乙酰氨基磺酰基，而 R 7 代表氢原子、氯原子、氟原子、甲基、三氟甲基或甲氧基；可用于预防或治疗细胞增殖疾病。 1
• UTILIZATION OF PYRAZOLINE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND/OR TREATMENT OF PROLIFERATIVE CELL DISEASES
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1384477B1

  公开（公告）日：2006-05-24
• US6353117B1
  申请人：——

  公开号：US6353117B1

  公开（公告）日：2002-03-05
• USRE38963E1
  申请人：——

  公开号：USRE38963E1

  公开（公告）日：2006-01-31