3-bromo-2-fluoro-6-hydroxybenzoic acid

• 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-bromo-2-fluoro-6-hydroxybenzoic acid
• 英文别名: 3-Bromo-2-fluoro-6-hydroxybenzoic acid
• 化学式: C₇H₄BrFO₃
• 分子量: 235.009
• InChiKey: PKYVMESVHCKHNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-bromo-2-fluoro-6-hydroxybenzoic acid 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 Benzyl 3-cyano-2-phenoxy-6-phenylmethoxybenzoate
  参考文献：
  名称：

  SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS

  摘要：

  揭示了用于治疗或预防与蛋白质突变相关的疾病或障碍的化合物、组合物和方法。

  公开号：

  US20210371403A1
• 作为产物：
  描述：

  3-溴-2-氟-6-羟基苯甲醛 在 sodium chlorite 、 sodium dihydrogenphosphate 、 氨基磺酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.5h， 生成 3-bromo-2-fluoro-6-hydroxybenzoic acid
  参考文献：
  名称：

  SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS

  摘要：

  揭示了用于治疗或预防与蛋白质突变相关的疾病或障碍的化合物、组合物和方法。

  公开号：

  US20210371403A1

文献信息

• SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS
  申请人：Jnana Therapeutics, Inc.

  公开号：US20210371403A1

  公开（公告）日：2021-12-02

  Disclosed are compounds, compositions, and methods useful for treating or preventing a disease or disorder associated with a mutation in a protein.

  揭示了用于治疗或预防与蛋白质突变相关的疾病或障碍的化合物、组合物和方法。
• [EN] METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY<br/>[FR] MÉTHODES DE TRAITEMENT D'UNE DÉFICIENCE DE TRANSPORTEUR DE CRÉATINE
  申请人：JNANA THERAPEUTICS INC

  公开号：WO2020061477A1

  公开（公告）日：2020-03-26

  Disclosed are methods of treating creatine transporter deficiency, comprising administering to a mammal in need thereof a therapeutically effective amount of a compound that increases transport of a substrate by a mutant or wild-type creatine transporter. Also disclosed are methods of increasing transport of guanidinoacetic acid or a salt thereof across the blood-brain barrier of a mammal, and methods of decreasing accumulation or the concentration of guanidinoacetic acid or a salt thereof in a mammalian cell.
• [EN] SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS<br/>[FR] PETITES MOLÉCULES CIBLANT DES PROTÉINES DE MAMMIFÈRE MUTANTES
  申请人：JNANA THERAPEUTICS INC

  公开号：WO2020061473A1

  公开（公告）日：2020-03-26

  Disclosed are compounds, compositions, and methods useful for treating or preventing a disease or disorder associated with a mutation in a protein. One aspect of the invention provides compounds, compositions, and methods useful for treating or preventing a disease or disorder associated with a SLC6A8 mutation.
• FUSED BICYCLIC EGFR INHIBITORS AND METHODS OF USE THEREOF
  申请人：[en]DANA-FARBER CANCER INSTITUTE, INC.

  公开号：WO2023250321A1

  公开（公告）日：2023-12-28

  The disclosure relates to fused bicyclic compounds comprising ring cores such as 2H-benzo[e][1,3]oxazin-4(3H)-one, 2,3-dihydrothieno[2,3-e][1,3]oxazin-4-one and 2,3-dihydrothieno[3,2-e][1,3]oxazin-4-one, that act as allosteric inhibitors of epidermal growth factor receptor (EGFR); pharmaceutical compositions comprising the compounds, optionally in combination with a second active agent; and methods of treating or preventing kinase-mediated disorders, including cancer and other proliferation diseases.
• METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY
  申请人：Jnana Therapeutics, Inc.

  公开号：US20210299070A1

  公开（公告）日：2021-09-30

  Disclosed are methods of treating creatine transporter deficiency, comprising administering to a mammal in need thereof a therapeutically effective amount of a compound that increases transport of a substrate by a mutant or wild-type creatine transporter. Also disclosed are methods of increasing transport of guanidinoacetic acid or a salt thereof across the blood-brain barrier of a mammal, and methods of decreasing accumulation or the concentration of guanidinoacetic acid or a salt thereof in a mammalian cell.

  揭示了治疗肌酸转运蛋白缺乏症的方法，包括向需要的哺乳动物施用增加突变型或野生型肌酸转运蛋白对底物转运的化合物的治疗有效量。还披露了增加鸟氨酸乙酸或其盐跨越哺乳动物血脑屏障的方法，以及减少哺乳动物细胞中鸟氨酸乙酸或其盐的积累或浓度的方法。