5-trifluoromethyl-2-(2-trifluoromethylphenyl)oxazole-4-carboxylic acid | 1448670-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-trifluoromethyl-2-(2-trifluoromethylphenyl)oxazole-4-carboxylic acid
• 英文别名: 5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
• CAS: 1448670-01-6
• 化学式: C₁₂H₅F₆NO₃
• 分子量: 325.167
• InChiKey: BKZVWEXKGGMXLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 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：
  63.3
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5-trifluoromethyl-2-(2-trifluoromethylphenyl)oxazole-4-carboxylic acid 在 水 、 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 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 trans-{4-[4-(3-{[5-trifluoromethyl-2-(2-trifluoromethylphenyl)oxazole-4-carbonyl]amino}propionylamino)phenyl]cyclohexyl}acetic acid
  参考文献：
  名称：

  EP2842938

  摘要：

  公开号：

文献信息

• 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。
• Synthesis and biological evaluation of aminobenzimidazole derivatives with a phenylcyclohexyl acetic acid group as anti-obesity and anti-diabetic agents
  作者：Hyun Jung Kwak、Yu Mi Pyun、Ji Young Kim、Haushabhau S. Pagire、Ki Young Kim、Kwang Rok Kim、Sang Dal Rhee、Won Hoon Jung、Jin Sook Song、Myung Ae Bae、Duck Hyung Lee、Jin Hee Ahn

  DOI：10.1016/j.bmcl.2013.05.081

  日期：2013.8

  A series of benzimidazole derivatives with a phenylcyclohexyl acetic acid group as DGAT-1 inhibitors was developed. Among the benzimidazole series, compound 5k showed submicromolar in vitro activity toward human and mouse DGAT-1, good selectivity toward DGAT-2, human liver metabolic stability, and pharmacokinetic (PK) and safety profiles such as hERG, CYP and acute toxicity. Additionally, 5k showed good in vivo efficacy in 4 weeks study with DIO mouse model. (C) 2013 Elsevier Ltd. All rights reserved.
• US9321728B2
  申请人：——

  公开号：US9321728B2

  公开（公告）日：2016-04-26