3-methyl-2-methylthiomethylphenol | 10353-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-methyl-2-methylthiomethylphenol
• 英文别名: 2-Methylmercaptomethyl-3-methyl-phenol；3-Methyl-2-(methylsulfanylmethyl)phenol
• CAS: 10353-19-2
• 化学式: C₉H₁₂OS
• 分子量: 168.26
• InChiKey: LKARMHPMKGCZFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  间甲酚 、 二甲基亚砜 、 氯化亚砜 以39%的产率得到
  参考文献：
  名称：

  SATO, KIKUMASA;INOUE, SEIICHI;OZAWA, KIMIO;TAZAKI, MICHIKO, J. CHEM. SOC. PERKIN TRANS., 1984, N 12, 2715-2719

  摘要：

  DOI：

文献信息

• Substituted quinazoline compounds and methods of use thereof
  申请人：Araxes Pharma LLC

  公开号：US10829458B2

  公开（公告）日：2020-11-10

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have one of the following structures (I), (II) or (III): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein R1, R2a, R2b, R2c, R3a, R3b, R4a, R4b, R5a, R5b, R6, A, B, G1, G2, L1, L2, m1, m2, n, x, y, X 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之一 (I)、(II) 或 (III)： 或其药学上可接受的盐、立体异构体或原药，其中 R1、R2a、R2b、R2c、R3a、R3b、R4a、R4b、R5a、R5b、R6、A、B、G1、G2、L1、L2、m1、m2、n、x、y、X 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突变型KRAS蛋白活性以治疗疾病（如癌症）的方法。
• Sato, Kikumasa; Inoue, Seiichi; Ozawa, Kimio, Journal of the Chemical Society. Perkin transactions I, 1984, p. 2715 - 2719
  作者：Sato, Kikumasa、Inoue, Seiichi、Ozawa, Kimio、Tazaki, Michiko

  DOI：——

  日期：——
• SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20190284144A1

  公开（公告）日：2019-09-19

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have one of the following structures (I), (II) or (III): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein R 1 , R 2a , R 2b , R 2c , R 3a , R 3b , R 4a , R 4b , R 5a , R 5b , R 6 , A, B, G 1 , G 2 , L 1 , L 2 , m 1 , m 2 , n, x, y, X 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.
• SATO, KIKUMASA;INOUE, SEIICHI;OZAWA, KIMIO;TAZAKI, MICHIKO, J. CHEM. SOC. PERKIN TRANS., 1984, N 12, 2715-2719
  作者：SATO, KIKUMASA、INOUE, SEIICHI、OZAWA, KIMIO、TAZAKI, MICHIKO

  DOI：——

  日期：——