2-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carboxamide | 1239315-98-0

• 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: 2-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carboxamide
• 英文别名: 2-Methyl-1-(4-methylphenyl)sulfonylindole-3-carboxamide
• CAS: 1239315-98-0
• 化学式: C₁₇H₁₆N₂O₃S
• 分子量: 328.392
• InChiKey: QAVBGUZQLOAATA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  90.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-iodo-2-methyl-1-tosyl-1H-indole 、 三氯乙酰异氰酸酯 在 lithium chloro-isopropyl-magnesium chloride 、 zinc(II) chloride 、 甲醇 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以73%的产率得到2-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carboxamide
  参考文献：
  名称：

  Preparation of Primary Amides from Functionalized Organozinc Halides

  摘要：

  Organozinc halides, which are prepared either by direct zinc insertion or halogen magnesium exchange and subsequent transmetalation with ZnCl2, react smoothly with commercially available trichloroacetyl isocyanate to give, after hydrolysis, the corresponding primary amides. This method is compatible with a variety of functional groups such as an ester or a cyano group. Also heterocyclic-, alkenyl, and acetylenic zinc reagents are converted to the corresponding primary amides under these conditions.

  DOI：

  10.1021/ol101469f

文献信息

• MODULATORS OF THR-BETA AND METHODS OF USE THEREOF
  申请人：Aligos Therapeutics, Inc.

  公开号：EP3965884A1

  公开（公告）日：2022-03-16
• [EN] MODULATORS OF THR-β AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE THR-β ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ALIGOS THERAPEUTICS INC

  公开号：WO2020227549A1

  公开（公告）日：2020-11-12

  Disclosed herein are compounds of Formula (I) or a pharmaceutically acceptable salt, prodrug, amide or ester thereof, where i) TL is a moiety of Formula IlIa, lIIb, IlIa, IIIb, IIIc, or IIId; ii) CE is a moiety of Formula IV; iii) HD is a moiety of Formula V or VI; where the substituents are as defined herein. Disclosed are also pharmaceutical compositions comprising the above compounds, and methods of treating disease by administering or contact a patient with one or more of the above compounds.