5-methoxy-1-(2-(methylthio)pyrimidin-4-yl)-1H-indole | 1032451-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-methoxy-1-(2-(methylthio)pyrimidin-4-yl)-1H-indole
• 英文别名: 5-methoxy-1-(2-methylsulfanyl-pyrimidin-4-yl)-1H-indole；5-Methoxy-1-(2-methylsulfanylpyrimidin-4-yl)indole
• CAS: 1032451-68-5
• 化学式: C₁₄H₁₃N₃OS
• 分子量: 271.343
• InChiKey: PERXNUUNUOWBEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxy-1-(2-(methylthio)pyrimidin-4-yl)-1H-indole 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 5-methoxy-1-(2-(methylsulfinyl)pyrimidin-4-yl)-1H-indole
  参考文献：
  名称：

  EP3345900

  摘要：

  公开号：
• 作为产物：
  描述：

  5-甲氧基吲哚 、 2-甲硫基-4-氯嘧啶 在 sodium hydride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 1.5h， 生成 5-methoxy-1-(2-(methylthio)pyrimidin-4-yl)-1H-indole
  参考文献：
  名称：

  EP3345900

  摘要：

  公开号：

文献信息

• JNK modulators
  申请人：Dunn James Patrick

  公开号：US20080146565A1

  公开（公告）日：2008-06-19

  Compounds of formula I modulate JNK: wherein the variables are as defined herein.

  式I的化合物调节JNK： 其中变量的定义如本文所述。
• 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF
  申请人：Guangzhou Bebetter Medicine Technology Co., Ltd.

  公开号：EP3345900A1

  公开（公告）日：2018-07-11

  Provided are a 2, 4-di-(nitrogen containing group) substituted pyrimidine compound represented by a general formula (I), a pharmaceutically acceptable salt and a stereoisomer thereof, a preparation method thereof, and a use thereof in preparation of anti-tumor drugs. The compound having a structural feature shown in the general formula (I) can selectively suppress activity of mutant epidermal growth factor receptors (EGFR), including single-mutant EGFR (T790M) and double-mutant EGFR (including L858R/T790M and ex19del/T790M), and can suppress activity of single gain-of-function mutant EGFR (including L858R and ex19del) as well. The compound has a weak suppression effect on wild-type EFGR and a very high selectivity, and thus it has a potential to be used in preparation of drugs for treating EGFR mutant tumors, especially non-small cell lung cancer (NSCLC) comprising a T790M EGFR mutation.

  本发明提供了通式（I）代表的2，4-二（含氮基团）取代的嘧啶化合物、其药学上可接受的盐和立体异构体、其制备方法以及其在制备抗肿瘤药物中的用途。具有通式（I）所示结构特征的化合物可以选择性地抑制突变型表皮生长因子受体（EGFR）的活性，包括单突变型表皮生长因子受体（T790M）和双突变型表皮生长因子受体（包括 L858R/T790M 和 ex19del/T790M），还可以抑制单功能增益突变型表皮生长因子受体（包括 L858R 和 ex19del）的活性。该化合物对野生型 EFGR 的抑制作用较弱，且具有极高的选择性，因此有望用于制备治疗表皮生长因子受体突变肿瘤的药物，尤其是治疗表皮生长因子受体 T790M 突变的非小细胞肺癌（NSCLC）。
• 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF
  申请人：GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD.

  公开号：US20200165227A1

  公开（公告）日：2020-05-28

  Provided are a 2, 4-di-(nitrogen containing group) substituted pyrimidine compound represented by a general formula (I), a pharmaceutically acceptable salt and a stereoisomer thereof, a preparation method thereof, and a use thereof in preparation of anti-tumor drugs. The compound having a structural feature shown in the general formula (I) can selectively suppress activity of mutant epidermal growth factor receptors (EGFR), including single-mutant EGFR (T790M) and double-mutant EGFR (including L858R/T790M and ex19del/T790M), and can suppress activity of single gain-of-function mutant EGFR (including L858R and ex19del) as well. The compound has a weak suppression effect on wild-type EFGR and a very high selectivity, and thus it has a potential to be used in preparation of drugs for treating EGFR mutant tumors, especially non-small cell lung cancer (NSCLC) comprising a T790M EGFR mutation.
• US8399462B2
  申请人：——

  公开号：US8399462B2

  公开（公告）日：2013-03-19