potassium (6-chloro-2-hydroxyphenyl)trifluoroborate | 1418208-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: potassium (6-chloro-2-hydroxyphenyl)trifluoroborate
• 英文别名: potassium (2-chloro-6-hydroxyphenyl)trifluoroborate；potassium;(2-chloro-6-hydroxyphenyl)-trifluoroboranuide
• CAS: 1418208-91-9
• 化学式: C₆H₄BClF₃O*K
• 分子量: 234.455
• InChiKey: QYQSKATXZDYMOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  3-chlorophenyl diisopropylphosphinite borane 在 potassium hydrogen difluoride 作用下， 以 甲醇 、 氟苯 、 水 、 甲苯 为溶剂， 反应 19.0h， 生成 potassium (4-chloro-2-hydroxyphenyl)trifluoroborate 、 potassium (6-chloro-2-hydroxyphenyl)trifluoroborate
  参考文献：
  名称：

  P-Directed Borylation of Phenols

  摘要：

  Internal borylation occurs upon activation of aryl di-isopropylphosphinite boranes with HNTf2 to give heterocyclic intermediates that can be reductively quenched to afford 6 or treated with KHF2 to give the phenolic potassium aryl trifluoroborate salts 10. The latter salts are useful for Pd-catalyzed coupling with aryl iodides under Molander conditions, provided that precautions are taken to remove the KNTf2 byproduct from the preceding KHF2 step.

  DOI：

  10.1021/ol303203m

文献信息

• Small Molecule Inhibitors of KRAS G12C Mutant
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210122764A1

  公开（公告）日：2021-04-29

  The disclosure provides compounds of Formula (I) or a pharmaceutically acceptable salt thereof, wherein W 1 , W 2 , Y, Z, M, L, C y , C z , R 1 , R 2 , R 3 , R 4 , R 2a , R y , R z and the subscripts m, n, q, and r are as described herein. The compounds or their pharmaceutically acceptable salts can inhibit the G12C mutant of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

  该披露提供了Formula (I)的化合物或其药用盐，其中W1、W2、Y、Z、M、L、Cy、Cz、R1、R2、R3、R4、R2a、Ry、Rz以及下标m、n、q和r如本文所述。这些化合物或其药用盐可以抑制Kirsten大鼠肉瘤（KRAS）蛋白的G12C突变体，并有望作为治疗剂具有用途，例如用于治疗癌症。该披露还提供了包含Formula (I)的化合物或其药用盐的药物组合物。该披露还涉及使用这些化合物或其药用盐在癌症的治疗和预防中的方法，以及为此目的制备药物。