3-methyl-4-(phenylsulfonyl)aniline | 7018-99-7

• 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: 3-methyl-4-(phenylsulfonyl)aniline
• 英文别名: 3-Methyl-4-(phenylsulfonyl)benzeneamine；4-(benzenesulfonyl)-3-methylaniline
• CAS: 7018-99-7
• 化学式: C₁₃H₁₃NO₂S
• 分子量: 247.318
• InChiKey: UCGJCVWDWRMVSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-4-(phenylsulfonyl)aniline 在 正丁基锂 、 4 A molecular sieve 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成 Cyclopropanecarboxylic acid (4-benzenesulfonyl-3-methyl-phenyl)-[3-(4-cyano-benzyl)-2-methyl-3H-imidazol-4-ylmethyl]-amide
  参考文献：
  名称：

  Imidazole-containing diarylether and diarylsulfone inhibitors of farnesyl-protein transferase

  摘要：

  The design and syntheses of non-thiol inhibitors of farnesyl-protein transferase are described. Optimization of cysteine-substituted diarylethers led to highly potent imidazole-containing diarylethers and diarylsulfones. Polar diaryl linkers dramatically improved potency and gave highly cell active compounds. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00605-8
• 作为产物：
  描述：

  4-bromo-2-methyl-1-(phenylsulfonyl)benzene 在 copper(I) oxide 、 ammonium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以97%的产率得到3-methyl-4-(phenylsulfonyl)aniline
  参考文献：
  名称：

  在温和条件下使用NHC-Au催化剂选择性合成邻位取代的二芳基砜

  摘要：

  已经建立了一步金（I）催化的化学选择方案以访问邻位取代的二芳基砜。ena啶咪唑基亚金络合物是焦亚硫酸氢钾（K 2 S 2 O 5）和二芳基碘鎓盐对硼酸进行芳基磺酰化的有效催化剂，即使以克为单位，也可得到（多）邻位取代的二芳基砜。与过渡金属催化的双组分偶联系统不同，二芳基碘鎓盐中的位阻芳基优先转移到体积较小的芳基上，以形成合成困难的靶标，包括具有药学重要性的靶标。

  DOI：

  10.1021/acs.orglett.8b03957

文献信息

• Therapeutic amides
  申请人：Imperial Chemical Industries PLC

  公开号：US05272163A1

  公开（公告）日：1993-12-21

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the amides and pharmaceutical compositions containing them.

  酰胺具有以下化学式I：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和在体内可水解的酯，可用于治疗尿失禁。还提供了制备这些酰胺的方法和含有它们的药物组合物。
• Substituted bicyclic derivatives useful as anticancer agents
  申请人：——

  公开号：US20010034351A1

  公开（公告）日：2001-10-25

  The invention relates to compounds of the formula 1 1 and to pharmaceutically acceptable salts and solvates thereof, wherein A, X, R 1 , R 3 and R 4 are as defined herein. The invention also relates to methods of treating abnormal cell growth in mammals with administering the compounds of formula 1 and to pharmaceutical compositions for treating such disorders which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

  本发明涉及公式11的化合物及其药学上可接受的盐和溶剂化物，其中A、X、R1、R3和R4的定义如本文所述。本发明还涉及使用公式1的化合物治疗哺乳动物中的异常细胞生长的方法，并涉及含有公式1的化合物的治疗此类疾病的制药组合物。本发明还涉及制备公式1的化合物的方法。
• Method of preparing therapeutic amides
  申请人：Imperial Chemical Industries, PLC

  公开号：US05684198A1

  公开（公告）日：1997-11-04

  Amides having formula I: ##STR1## wherein E, X, R.sup.2 and R.sup.3 have the meanings given in the specification, and pharmaceutically acceptable salts and pharmaceutically acceptable in vivo hydrolysable esters thereof, which are useful in the treatment of urinary incontinence. Further provided are processes for preparing the aides and pharmaceutical compositions containing them.

  具有以下式子I的酰胺：##STR1## 其中E、X、R.sup.2和R.sup.3的含义如规范中所述，并且其药学上可接受的盐和药学上可接受的体内可水解酯，可用于治疗尿失禁。还提供了制备这些酰胺的过程和含有它们的制药组合物。
• <i>N</i>-Aryl-3,3,3-trifluoro-2-hydroxy-2-methylpropanamides:  K_ATP Potassium Channel Openers. Modifications on the Western Region
  作者：Cyrus J. Ohnmacht、Keith Russell、James R. Empfield、Cathy A. Frank、Keith H. Gibson、Daniel R. Mayhugh、Frances M. McLaren、Howard S. Shapiro、Frederick J. Brown、Diane A. Trainor、Christopher Ceccarelli、Margaret M. Lin、Brian B. Masek、Janet M. Forst、Robert J. Harris、James M. Hulsizer、Joseph J. Lewis、Stuart M. Silverman、Reed W. Smith、Paul J. Warwick、Sen T. Kau、Alexa L. Chun、Thomas L. Grant、Burton B. Howe、Jack H. Li、Shephali Trivedi、Tracy J. Halterman、Christopher Yochim、Martin C. Dyroff、M. Kirkland、Kathleen L. Neilson

  DOI：10.1021/jm960365n

  日期：1996.1.1

  A subset of antiandrogen compounds, the N-aryl-3,3,3-trinuoro-2-hydroxy-2-methylpropanamides 1, were found to activate ATP sensitive potassium channels (K-ATP) and represent a new class of potassium channel openers (PCOs). A structure-activity relationship was carried out on the western region of this series with the goal of obtaining an activator of the ATP sensitive potassium channel suitable for use in the treatment of urge urinary incontinence. In particular three large 4-(N-aryl) substituents, the (N-phenyl-N-methylamino)sulfonyl, benzoyl, and 4-pyridylsulfonyl moieties, yielded non-antiandrogen, K-ATP potassium channel openers (39, 41, and 64, respectively) that are bladder selective in an in vivo rat model that simultaneously measures bladder contractions, heart rate, and blood pressure. Substitutions of the aryl rings of 41 and 64 gave several derivatives that also display selectivity in the in vivo rat model; however, none appear to offer a substantial advantage over 41 and 64. The PCO activity of 41 and 64 resides in the (S)-(-) enantiomers. ZD6169, 41(S), has been selected into development for the treatment of urge urinary incontinence.
• CH557804
  申请人：——

  公开号：——

  公开（公告）日：——