2-fluoro-3-methylphenyl methyl sulfone | 828270-61-7

• 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: 2-fluoro-3-methylphenyl methyl sulfone
• 英文别名: 2-fluoro-3-(methylsulfonyl)toluene；2-Fluoro-1-methyl-3-(methylsulfonyl)benzene；2-fluoro-1-methyl-3-methylsulfonylbenzene
• CAS: 828270-61-7
• 化学式: C₈H₉FO₂S
• 分子量: 188.223
• InChiKey: NQPFKAHWHCWJFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-hydroxy-4-(1-methylpyrazol-3-ylamino)quinazoline 、 2-fluoro-3-methylphenyl methyl sulfone 在 potassium tert-butylate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 6-[2-methyl-6-(methylsulfonyl)-phenoxy]-N-(1-methyl-pyrazol-3-yl)quinazolin-4-yl-amine
  参考文献：
  名称：

  Discovery and structure–activity relationships of a novel class of quinazoline glucokinase activators

  摘要：

  We describe design, syntheses and structure-activity relationships of a novel class of 4,6-disubstituted quinazoline glucokinase activators. Prototype quinazoline leads (4 and 5) were designed based on the X-ray analyses of the previous 2-aminobenzamide lead classes. Modifications of the quinazoline leads led to the identification of a potent GK activator (21d). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.064
• 作为产物：
  描述：

  2-氟甲苯 、 甲基磺酰氯 在 三氯化锑 三氟甲磺酸 作用下， 反应 96.0h， 生成 2-fluoro-3-methylphenyl methyl sulfone 、 2-氟-5-甲砜基甲苯 、 2-氟-6-甲砜基甲苯 、 2-氟-1-甲基-4-(甲基磺酰基)苯
  参考文献：
  名称：

  三氟甲磺酸与铋(III)或氯化锑(III)在芳烃甲磺酰化催化中的总协同效应

  摘要：

  在芳烃的 Friedel-Crafts 甲磺酰化中观察到铋 (III) 或氯化锑 (III) 与三氟甲磺酸之间的总协同效应，并导致开发了第一个可用于活化和失活的甲磺酰化的有效催化系统芳烃。还讨论了解释观察到的效应的建议机制。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejoc.200400369

文献信息

• [EN] ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES<br/>[FR] COMPOSÉS PYRIDYLE SUBSTITUÉS PAR ALKYL-AMIDE, UTILES COMME MODULATEURS D'IL-12, IL-23 ET/OU DE RÉPONSES À L'IFN&Agr;
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014074660A1

  公开（公告）日：2014-05-15

  Compounds having the following formula (I): or a stereoisomer or pharmaceutically-acceptable salt thereof, where R1, R2, R3, R4, and R5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.

  具有以下化学式（I）的化合物，或其立体异构体或药用可接受盐，其中R1、R2、R3、R4和R5如本文所定义，在通过作用于Tyk-2引起信号转导抑制的过程中，对IL-12、IL-23和/或IFNα的调节是有用的。
• Substituted Quinazoline or Pyridopyrimidine Derivative
  申请人：Mitsuya Morihiro

  公开号：US20080032996A1

  公开（公告）日：2008-02-07

  The present invention provides a compound having a glucokinase activating action being useful for prevention or treatment of diabetes mellitus, etc. being represented by the formula (I): X is nitrogen atom, etc.; Y is oxygen atom, etc.; R 1 is an optionally substituted five to six-membered heteroaryl group, etc.; R 2 is hydrogen atom or fluorine atom; and ring A is a monocyclic or bicyclic heteroaryl group which may have a substituent represented by the formula (II)] or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有激活葡萄糖激酶作用的化合物，该化合物可用于预防或治疗糖尿病等疾病，其表示式为(I)：其中，X为氮原子等；Y为氧原子等；R1为可选取代的五至六元杂环芳基基团等；R2为氢原子或氟原子；环A为单环或双环杂环芳基基团，其可具有由式(II)表示的取代基，或其药学上可接受的盐。
• Substituted quinazoline or pyridopyrimidine derivative
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07687502B2

  公开（公告）日：2010-03-30

  The present invention provides a compound having a glucokinase activating action being useful for prevention or treatment of diabetes mellitus, etc. being represented by the formula (I): X is nitrogen atom, etc.; Y is oxygen atom, etc.; R1 is an optionally substituted five to six-membered heteroaryl group, etc.; R2 is hydrogen atom or fluorine atom; and ring A is a monocyclic or bicyclic heteroaryl group which may have a substituent represented by the formula (II)] or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有激活葡萄糖激酶作用的化合物，其表示为式（I）：X为氮原子等；Y为氧原子等；R1为可选取代的五到六元杂环芳基等；R2为氢原子或氟原子；环A为单环或双环杂环芳基，其可以具有由式（II）表示的取代基，或其药学上可接受的盐，用于预防或治疗糖尿病等。
• SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1734040A1

  公开（公告）日：2006-12-20

  The present invention provides a compound having a glucokinase activating action being useful for prevention or treatment of diabetes mellitus, etc. being represented by the formula (I): X is nitrogen atom, etc.; Y is oxygen atom, etc.; R1 is an optionally substituted five to six-membered heteroaryl group, etc.; R2 is hydrogen atom or fluorine atom; and ring A is a monocyclic or bicyclic heteroaryl group which may have a substituent represented by the formula (II)] or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有葡萄糖激酶激活作用的化合物，可用于预防或治疗糖尿病等，由式（I）表示： X为氮原子等；Y为氧原子等；R1为任选取代的五至六元杂芳基等；R2为氢原子或氟原子；环A为单环或双环杂芳基，可具有由式(II)代表的取代基]。 或其药学上可接受的盐。
• ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP2922841B1

  公开（公告）日：2017-06-07