5-tert-butyl-2,4-difluorophenol | 1256549-93-5

• 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: 5-tert-butyl-2,4-difluorophenol
• 英文别名: 5-Tert-butyl-2,4-difluorophenol
• CAS: 1256549-93-5
• 化学式: C₁₀H₁₂F₂O
• 分子量: 186.201
• InChiKey: DISHTXRYSKVAAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对叔丁基邻苯二酚 在 邻四氯苯醌 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 氯仿 、 乙腈 为溶剂， 反应 4.0h， 生成 3-Tert-butyl-6,6-difluorocyclohexa-2,4-dien-1-one 、 5-tert-butyl-2,4-difluorophenol
  参考文献：
  名称：

  Nucleophilic Deoxyfluorination of Catechols

  摘要：

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.

  DOI：

  10.1021/ol200808q

文献信息

• ANTI-ESTROGENIC COMPOUNDS
  申请人：PFIZER INC.

  公开号：US20160311805A1

  公开（公告）日：2016-10-27

  The present disclosure provides a compound of Formula I: or a pharmaceutically acceptable salt wherein X, R 1 -R 8 , Y 1 -Y 5 , m, n, p, and q are defined herein. The novel 2H-chromene compounds are useful for the modulation of disorders mediated by estrogen, and other disorders, as described herein. The present invention also relates to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions.

  本公开提供一种具有以下化学式的化合物：或其药用可接受盐，其中X、R1-R8、Y1-Y5、m、n、p和q在此处定义。这些新型2H-香豆素化合物对通过雌激素介导的疾病和其他疾病的调节具有用处，如本文所述。本发明还涉及含有这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• INHIBITORS OF KRAS G12C
  申请人：Araxes Pharma LLC

  公开号：US20150239900A1

  公开（公告）日：2015-08-27

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, prodrug or stereoisomer thereof, wherein R 1 , R 2a , R 3a , R 3b , R 4a , R 4b , G 1 , G 2 , L 1 , L 2 , m 1 , m 2 , A, B, W, X, Y, Z and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了具有抑制G12C突变KRAS蛋白活性的化合物。这些化合物具有以下结构（I）：或其药学上可接受的盐、互变异构体、前药或立体异构体，其中R1、R2a、R3a、R3b、R4a、R4b、G1、G2、L1、L2、m1、m2、A、B、W、X、Y、Z和E的定义如本文所述。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的制药组合物以及用于治疗癌症等疾病的调节G12C突变KRAS蛋白活性的方法。
• COMBINATION THERAPIES FOR TREATMENT OF CANCER
  申请人：Araxes Pharma LLC

  公开号：US20160166571A1

  公开（公告）日：2016-06-16

  Combination therapies for treatment of cancers associated with mutations in the KRAS gene are provided. Compositions comprising therapeutic agents for treatment of cancers associated with mutations in the KRAS gene are also provided.

  提供了用于治疗与KRAS基因突变相关的癌症的联合治疗方案。还提供了包含治疗剂的组合物，用于治疗与KRAS基因突变相关的癌症。
• Methods and compositions for inhibition of Ras
  申请人：ARAXES PHARMA LLC

  公开号：US10011600B2

  公开（公告）日：2018-07-03

  Inhibitors of Ras protein, methods to modulate the activity of Ras protein, and methods of treatment of disorders mediated by Ras protein are provided. A method for regulating activity of a K-Ras, H-Ras or N-Ras mutant protein with a compound is described. Disorders that can be treated include cancer, such as hematological cancer, pancreatic cancer, MYH associated polyposis, colorectal cancer, or lung cancer.

  提供了 Ras 蛋白的抑制剂、调节 Ras 蛋白活性的方法以及治疗由 Ras 蛋白介导的疾病的方法。描述了一种用化合物调节 K-Ras、H-Ras 或 N-Ras 突变蛋白活性的方法。可治疗的疾病包括癌症，如血癌、胰腺癌、MYH 相关性息肉病、结直肠癌或肺癌。
• Substituted cinnolines as inhibitors of KRAS G12C
  申请人：Araxes Pharma LLC

  公开号：US10927125B2

  公开（公告）日：2021-02-23

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, prodrug or stereoisomer thereof, wherein R1, R2a, R3a, R3b, R4a, R4b, G1, G2, L1, L2, m1, m2, A, B, W, X, Y, Z and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  本研究提供了具有抑制 G12C 突变 KRAS 蛋白活性的化合物。这些化合物具有以下结构 (I)： 或其药学上可接受的盐、同系物、原药或立体异构体，其中 R1、R2a、R3a、R3b、R4a、R4b、G1、G2、L1、L2、m1、m2、A、B、W、X、Y、Z 和 E 如本文所定义。还提供了与制备和使用此类化合物相关的方法、包含此类化合物的药物组合物以及调节 G12C 突变 KRAS 蛋白活性以治疗疾病（如癌症）的方法。