3-methoxy-5-(trifluoromethoxy)benzoic acid | 1261442-97-0

• 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: 3-methoxy-5-(trifluoromethoxy)benzoic acid
• CAS: 1261442-97-0
• 化学式: C₉H₇F₃O₄
• 分子量: 236.147
• InChiKey: WKKAZBSQUVIUFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-methoxy-5-(trifluoromethoxy)benzoic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.16h， 以67%的产率得到[3-methoxy-5-(trifluoromethoxy)phenyl]methanol
  参考文献：
  名称：

  1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer

  摘要：

  公式（I）的化合物：或其药用可接受的盐，其中：Q可以是1,2,4-三嗪-3-基，吡啶并[1,2-a]吡嗪-3-基，6-甲基吡啶并[1,2-a]吡嗪-3-基，或6-氟吡啶并[1,2-a]吡嗪-3-基；R1可以是氢、甲氧基、三氟甲氧基、氧杂环丙烷-3-基、3-氟氮杂环丙氮-1-基、3-甲氧基氮杂环丙氮-1-基，或3,3-二氟氮杂环丙氮-1-基；R2可以是氢或氟；R3可以是氢或甲氧基；R4可以是甲氧基、乙氧基或甲氧甲基；但当R1为氢、甲氧基或三氟甲氧基时，R3不是氢，和/或R4是甲氧甲基。公式（I）的化合物可以抑制谷氨酸酶，例如，GLS1。

  公开号：

  US20170152255A1

文献信息

• 1,3,4-thiadiazole compounds and their use in treating cancer
  申请人：AstraZeneca AB

  公开号：US10323028B2

  公开（公告）日：2019-06-18

  A compound of Formula (I): or a pharmaceutically acceptable salt thereof, where: Q can be 1,2,4-triazin-3-yl, pyridazin-3-yl, 6-methylpyridazin-3-yl, or 6-fluoropyridazin-3-yl; R1 can be hydrogen, methoxy, trifluoromethoxy, oxetan-3-yl, 3-fluoroazetidin-1-yl, 3-methoxyazetidin-1-yl, or 3,3-difluoroazetidin-1-yl; R2 can be hydrogen or fluoro; R3 can be hydrogen or methoxy; and R4 can be methoxy, ethoxy, or methoxymethyl; provided that when R1 is hydrogen, methoxy or trifluoromethoxy, then R3 is not hydrogen, and/or R4 is methoxymethyl. The compound of formula (I) can inhibit glutaminase, e.g., GLS1.

  式 (I) 的化合物： 或其药学上可接受的盐，其中Q 可以是 1，2，4-三嗪-3-基、哒嗪-3-基、6-甲基哒嗪-3-基或 6-氟哒嗪-3-基；R1 可以是氢、甲氧基、三氟甲氧基、氧杂环丁-3-基、3-氟氮杂环丁-1-基、3-甲氧基氮杂环丁-1-基或 3，3-二氟氮杂环丁-1-基；R2 可以是氢或氟；R3 可以是氢或甲氧基；R4 可以是甲氧基、乙氧基或甲氧基甲基；条件是当 R1 是氢、甲氧基或三氟甲氧基时，则 R3 不是氢，和/或 R4 是甲氧基甲基。式（I）化合物可抑制谷氨酰胺酶，如 GLS1。
• 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER
  申请人：Astrazeneca AB

  公开号：EP3383873A1

  公开（公告）日：2018-10-10
• TERTIARY AMIDES AND METHOD OF USE
  申请人：AbbVie Inc.

  公开号：US20190119200A1

  公开（公告）日：2019-04-25

  Compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein G 1 , G 2 , G 3 , L 1 , L 2 , and L 3 are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by the modulation of lysophosphatidic acid receptor 1. Methods for making the compounds are described. Also described are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.
• [EN] 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS DE 1,3,4-THIADIAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2017093299A1

  公开（公告）日：2017-06-08

  A compound of Formula (I) or a pharmaceutically acceptable salt thereof, where: Q can be 1,2,4-triazin-3-yl, pyridazin-3-yl, 6-methylpyridazin-3-yl, or 6-fluoropyridazin-3-yl; R1 can be hydrogen, methoxy, trifluoromethoxy, oxetan-3-yl, 3-fluoroazetidin-1-yl, 3-methoxyazetidin-1-yl, or 3,3- difluoroazetidin-1-yl; R2 can be hydrogen or fluoro; R3 can be hydrogen or methoxy; and R4 can be methoxy, ethoxy, or methoxymethyl; provided that when R1 is hydrogen, methoxy or trifluoromethoxy, then R3 is not hydrogen, and/or R4 is methoxymethyl. The compound of formula (I) can inhibit glutaminase, e.g., GLS1.
• [EN] TERTIARY AMIDES AND METHOD OF USE<br/>[FR] AMIDES TERTIAIRES ET PROCÉDÉ D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2017177004A1

  公开（公告）日：2017-10-12

  Compunds of Formula (I) and pharmaceutically acceptable salts thereof, wherein G1, G2, G3, L1, L2, and L3 are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by the modulation of lysophosphatidic acid receptor 1. Methods for making the compounds are described. Also described are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.