2-(4-(trifluoromethyl)phenyl)-6-nitro-benzoxazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(trifluoromethyl)phenyl)-6-nitro-benzoxazole
• 英文别名: 6-Nitro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole；6-nitro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole
• 化学式: C₁₄H₇F₃N₂O₃
• 分子量: 308.216
• InChiKey: MXMDARYPOZZLOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-三氟甲基苯甲酸 、 2-氨基-5-硝基苯酚 在 polyphosphoric acid (PPA) 作用下， 以44.46%的产率得到2-(4-(trifluoromethyl)phenyl)-6-nitro-benzoxazole
  参考文献：
  名称：

  Discovery of 5-(or 6)-benzoxazoles and oxazolo[4,5-b]pyridines as novel candidate antitumor agents targeting hTopo IIα

  摘要：

  DOI：

  10.1016/j.bioorg.2021.104913

文献信息

• AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF
  申请人：Shanghai Hengrui Pharmaceutical Co. Ltd.

  公开号：EP3133068A1

  公开（公告）日：2017-02-22

  The present invention relates to amide derivatives and pharmaceutically acceptable salts thereof, preparation method therefor and medicinal application thereof. Specifically, the present invention relates to amide derivatives represented by general formula (I), preparation method therefor, pharmaceutical compositions containing the derivatives, and use thereof as therapeutic agent, especially as inhibitor for microsomal prostaglandin E synthase-1(mPGES-1), and use in preparation of medicines for treating and/or preventing diseases or illness such as inflammation and/or pain etc. The definition of each substituent group in general formula (I) is the same as the definition in the description.

  本发明涉及酰胺类衍生物及其药学上可接受的盐、其制备方法和医疗应用。具体地说，本发明涉及通式（I）所代表的酰胺衍生物、其制备方法、含有该衍生物的药物组合物及其作为治疗剂的用途，特别是作为微粒体前列腺素 E 合酶-1（mPGES-1）的抑制剂，以及用于制备治疗和/或预防炎症和/或疼痛等疾病的药物。通式（I）中各取代基的定义与描述中的定义相同。
• [EN] AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF<br/>[FR] DÉRIVÉS D'AMIDES ET LEURS SELS PHARMACEUTIQUEMENT ACCEPTABLES, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION MÉDICALE<br/>[ZH] 酰胺类衍生物及其可药用盐、其制备方法及其在医药上的应用
  申请人：SHANGHAI HENGRUI PHARM CO LTD

  公开号：WO2015158204A1

  公开（公告）日：2015-10-22

  本发明涉及酰胺类衍生物及其可药用盐、其制备方法及其在医药上的应用。具体而言，本发明涉及一种通式（I）所示酰胺类衍生物、其制备方法及含有该衍生物的药物组合物，以及其作为治疗剂，特别是作为微粒体前列腺素E合成酶-1（mPGES-1）抑制剂的用途和其在制备治疗和/或预防炎症和/或疼痛等疾病或病症的药物中的用途，其中通式（I）中的各取代基的定义与说明书中的定义相同。
• AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF
  申请人：Shanghai Hengrui Pharmaceutical Co., Ltd.

  公开号：US20170037044A1

  公开（公告）日：2017-02-09

  Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof are provided. Specifically, amide derivatives represented by general formula (I) are provided. The amide derivatives represented by general formula (I) can be used as a therapeutic agent, particularly as an inhibitor for microsomal prostaglandin E synthase-1 (mPGES-1), and also to treat and/or prevent diseases or illnesses such as inflammation and/or pain etc. The definition of each substituent group in general formula (I) is the same as the definition in the description.
• Discovery of 5-(or 6)-benzoxazoles and oxazolo[4,5-b]pyridines as novel candidate antitumor agents targeting hTopo IIα
  作者：Esin Karatas、Egemen Foto、Tugba Ertan-Bolelli、Gozde Yalcin-Ozkat、Serap Yilmaz、Sanaz Ataei、Fatma Zilifdar、Ilkay Yildiz

  DOI：10.1016/j.bioorg.2021.104913

  日期：2021.7