4-(N-(tert-butoxycarbonyl)-S-methylsulfonimidoyl)aniline | 1173910-93-4

• 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: 4-(N-(tert-butoxycarbonyl)-S-methylsulfonimidoyl)aniline
• 英文别名: tert-butyl ((4-aminophenyl)(methyl)(oxo)-λ⁶-sulfaneylidene)carbamate；tert-butyl N-[(4-aminophenyl)-methyl-oxo-λ6-sulfanylidene]carbamate
• CAS: 1173910-93-4
• 化学式: C₁₂H₁₈N₂O₃S
• 分子量: 270.353
• InChiKey: VRIMWBDWXRVDNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(N-(tert-butoxycarbonyl)-S-methylsulfonimidoyl)aniline 在 四(三苯基膦)钯 、 sodium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.33h， 生成 2-(((S)-3,3-difluoro-1-formylpiperidin-4-yl)oxy)-5-(4-((4-(S-methylsulfonimidoyl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile
  参考文献：
  名称：

  TANK-BINDING KINASE INHIBITOR COMPOUNDS

  摘要：

  具有以下化学式（I）的化合物以及它们的使用和制备方法已被披露：

  公开号：

  US20160096827A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 20% palladium hydroxide-activated charcoal 、 potassium tert-butylate 、 甲酸铵 作用下， 以 甲醇 、 叔丁醇 为溶剂， 反应 48.0h， 生成 4-(N-(tert-butoxycarbonyl)-S-methylsulfonimidoyl)aniline
  参考文献：
  名称：

  TANK-BINDING KINASE INHIBITOR COMPOUNDS

  摘要：

  具有以下化学式（I）的化合物以及它们的使用和制备方法已被披露：

  公开号：

  US20160096827A1

文献信息

• [EN] AMINOPYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS D'AMINOPYRIMIDINE
  申请人：TYRA BIOSCIENCES INC

  公开号：WO2021138392A1

  公开（公告）日：2021-07-08

  Disclosed herein are aminopyrimidine compounds that inhibit FGFR and methods of treating diseases and/or conditions (e.g., cancer) with the aminopyrimidine compounds disclosed herein.

  本文披露了一种抑制FGFR的氨基嘧啶化合物，以及使用本文披露的氨基嘧啶化合物治疗疾病和/或病症（例如癌症）的方法。
• AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：EP3517536A1

  公开（公告）日：2019-07-31

  Compounds having the following formula (I) and methods of their use and preparation are disclosed:(I).

  公开了具有下式(I)的化合物及其使用和制备方法：(I).
• Tank-binding kinase inhibitor compounds
  申请人：Gilead Sciences, Inc.

  公开号：US10040781B2

  公开（公告）日：2018-08-07

  Compounds having the following formula (I) and methods of their use and preparation are disclosed:

  公开了具有下式（I）的化合物及其使用和制备方法：
• Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity
  作者：Daniel P. Walker、Michael P. Zawistoski、Molly A. McGlynn、Jian-Cheng Li、Daniel W. Kung、Peter C. Bonnette、Amy Baumann、Leonard Buckbinder、Janet A. Houser、Jason Boer、Anil Mistry、Seungil Han、Li Xing and Angel Guzman-Perez

  DOI：10.1016/j.bmcl.2009.04.093

  日期：2009.6

  The synthesis, in vitro properties, and in vivo pharmacokinetics for a series of sulfoximine-substituted trifluoromethylpyrimidines as inhibitors of proline-rich tyrosine kinase, a target for the possible treatment of osteoporosis, are described. These compounds were prepared as surrogates of the corresponding sulfone compound 1. Sulfone 1 was an attractive PYK2 lead compound; however, subsequent studies determined this compound possessed high dofetilide binding, which is an early indicator of cardiovascular safety. Surprisingly, the corresponding sulfoximine analogs displayed significantly lower dofetilide binding, which, for N-methylsulfoximine (S)-14a, translated to lower activity in a patch clamp hERG K+ ion channel screen. In addition, compound (S)-14a shows good oral exposure in a rat pharmacokinetic model. (C) 2009 Elsevier Ltd. All rights reserved.
• [EN] PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS<br/>[FR] COMPOSÉS DE PYRIMIDINE DESTINÉS À ÊTRE UTILISÉS EN TANT QU'INHIBITEURS DE MAP4K1
  申请人：[en]GLENMARK SPECIALTY S.A.

  公开号：WO2023281417A1

  公开（公告）日：2023-01-12

  The present disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof, which are useful as MAP4K1 inhibitors, processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment or prevention of various diseases, conditions and/or disorders mediated by MAP4K1. (I)