1-o-tolyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid | 1004528-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-o-tolyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid
• 英文别名: 1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
• CAS: 1004528-64-6
• 化学式: C₁₂H₉F₃N₂O₂
• 分子量: 270.211
• InChiKey: HMERYXNRGOCCBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-o-tolyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 、 trans-{4-[4-(3-aminopropionylamino)phenyl]cyclohexyl}acetic acid methyl ester 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以91%的产率得到trans-[4-(4-{3-[(1-o-tolyl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)amino]propionylamino}phenyl)cyclohexyl]acetic acid methyl ester
  参考文献：
  名称：

  EP2842938

  摘要：

  公开号：

文献信息

• AMIDE COMPOUNDS
  申请人：Kitamura Shuji

  公开号：US20120065196A1

  公开（公告）日：2012-03-15

  The present invention provides compounds represented by the formula (Ie): and the formula (If): wherein each symbol is as defined in the specification. According to the present invention, these compounds have a DGAT inhibitory activity and are useful for the prophylaxis, treatment or improvement of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明提供由式(Ie)和式(If)所表示的化合物，其中每个符号如规范中所定义。根据本发明，这些化合物具有DGAT抑制活性，并可用于预防、治疗或改善由DGAT高表达或高活化引起的疾病或病理学。
• NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20150329504A1

  公开（公告）日：2015-11-19

  The present invention relates to a beta-alanine derivative, pharmaceutically acceptable salts thereof, and a pharmaceutical composition including the same as an active ingredient. The novel beta-alanine derivative and pharmaceutically acceptable salts thereof according to the present invention may effectively inhibit the activity of DGAT1, which is an enzyme serving as a catalyst in the final step of the synthesis of neutral lipids, to thereby be effectively used as a pharmaceutical composition for preventing or treating various lipid metabolism-related disorders selected from the group consisting of obesity, dyslipidemia, fatty liver, insulin resistance syndrome, and hepatitis.

  本发明涉及一种β-丙氨酸衍生物，其药学上可接受的盐以及包括其作为活性成分的制药组合物。根据本发明的新型β-丙氨酸衍生物和药学上可接受的盐可以有效抑制DGAT1的活性，DGAT1是在合成中性脂质的最后一步中作为催化剂的酶，因此可以有效地用作预防或治疗与脂质代谢相关的各种疾病的制药组合物，所述疾病从肥胖症、血脂异常、脂肪肝、胰岛素抵抗综合症和肝炎中选择。
• Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US09321728B2

  公开（公告）日：2016-04-26

  The present invention relates to a beta-alanine derivative, pharmaceutically acceptable salts thereof, and a pharmaceutical composition including the same as an active ingredient. The novel beta-alanine derivative and pharmaceutically acceptable salts thereof according to the present invention may effectively inhibit the activity of DGAT1, which is an enzyme serving as a catalyst in the final step of the synthesis of neutral lipids, to thereby be effectively used as a pharmaceutical composition for preventing or treating various lipid metabolism-related disorders selected from the group consisting of obesity, dyslipidemia, fatty liver, insulin resistance syndrome, and hepatitis.

  本发明涉及一种β-丙氨酸衍生物，其药学上可接受的盐以及包括其作为活性成分的制药组合物。根据本发明的新型β-丙氨酸衍生物和其药学上可接受的盐可以有效地抑制DGAT1的活性，DGAT1是在合成中性脂肪的最后一步中充当催化剂的酶，因此可以有效地用作预防或治疗与脂质代谢相关的各种疾病的制药组合物，所述疾病从包括肥胖症，血脂异常，脂肪肝，胰岛素抵抗综合征和肝炎的组中选择。
• US9321728B2
  申请人：——

  公开号：US9321728B2

  公开（公告）日：2016-04-26