2-Bromo-2-(4-methylthiophenyl)-1-phenylethanone | 177560-75-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-Bromo-2-(4-methylthiophenyl)-1-phenylethanone
• 英文别名: 1-Phenyl-2-bromo-2-(4-(methylthio)phenyl)ethanone；2-bromo-2-(4-methylsulfanylphenyl)-1-phenylethanone
• CAS: 177560-75-7
• 化学式: C₁₅H₁₃BrOS
• 分子量: 321.238
• InChiKey: MLDCNAZWDCJDSG-UHFFFAOYSA-N

物化性质

• 沸点：
  411.0±35.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Bromo-2-(4-methylthiophenyl)-1-phenylethanone 在 间氯过氧苯甲酸 作用下， 以 乙腈 为溶剂， 生成 2-(2-chlorophenyl)-5-[4-(methylsulfonyl)phenyl]-4-phenyl-1,3-thiazole
  参考文献：
  名称：

  Design and synthesis of sulfonyl-substituted 4,5-diarylthiazoles as selective cyclooxygenase-2 inhibitors

  摘要：

  A series of novel sulfone substituted 4,5-diarylthiazoles have been synthesized and evaluated for their inhibition of the two isoforms of human cyclooxygenase (COX-1 and COX-2). This series displays exceptionally selective COX-2 inhibition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00158-4
• 作为产物：
  描述：

  2-(4-(methylthio)phenyl)-1-phenylethan-1-one 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 生成 2-Bromo-2-(4-methylthiophenyl)-1-phenylethanone
  参考文献：
  名称：

  Design and synthesis of sulfonyl-substituted 4,5-diarylthiazoles as selective cyclooxygenase-2 inhibitors

  摘要：

  A series of novel sulfone substituted 4,5-diarylthiazoles have been synthesized and evaluated for their inhibition of the two isoforms of human cyclooxygenase (COX-1 and COX-2). This series displays exceptionally selective COX-2 inhibition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00158-4

文献信息

• Substituted thiazoles for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：US05668161A1

  公开（公告）日：1997-09-16

  A class of substituted thiazolyl compounds is described for use in treating inflammation disorders. Compounds are defined by Formula II ##STR1## wherein R.sup.1 is selected from hydrido, alkyl, haloalkyl, cyanoalkyl, alkylamino, aralkyl, arylamino, heteroarylsulfonylalkyl, heteroarylsulfonylhaloalkyl, aralkylamino, aryloxyalkyl, alkoxycarbonyl, aryl optionally substituted at a substitutable position with one or more radicals selected from halo and alkoxy, and heterocyclic optionally substituted at a substitutable position with one or more radicals selected from halo and alkyl; wherein R.sup.4 is selected from alkyl and amino; and wherein R.sup.5 is selected from aryl and heteroaryl; wherein R.sup.5 is optionally substituted at a substitutable position with one or more radicals selected from halo, alkyl and alkoxy; provided R.sup.5 is not phenyl at position 4 when R.sup.1 is .alpha.,.alpha.-bis(trifluoromethyl)methanol and R.sup.4 is methyl; or a pharmaceutically-acceptable salt thereof.

  描述了一类取代噻唑基化合物，用于治疗炎症性疾病。这些化合物由公式II定义，其中R.sup.1从氢化物、烷基、卤代烷基、氰基烷基、烷基胺基、芳基烷基、芳基胺基、杂环磺酰基烷基、杂环磺酰基卤代烷基、芳基胺基、芳氧基烷基、烷氧羰基、芳基（在可取代位置上可用一个或多个卤素和烷氧基选择的基团）和杂环（在可取代位置上可用一个或多个卤素和烷基选择的基团）中选择；其中R.sup.4从烷基和氨基中选择；其中R.sup.5从芳基和杂环中选择；其中R.sup.5在可取代位置上可用一个或多个卤素、烷基和烷氧基选择的基团进行取代；只要R.sup.5不是苯基在位置4时，当R.sup.1是α,α-双（三氟甲基）甲醇且R.sup.4是甲基；或其药用可接受盐。
• Aryl substituted 5,5 fused aromatic nitrogen compounds as
  申请人：Merck Frosst Canada, Inc.

  公开号：US05552422A1

  公开（公告）日：1996-09-03

  The invention encompasses the novel compound of Formula I as well as a method of treating cyclooxygenase-2 mediated diseases comprising administration to a patient in need of such treatment of a non-toxic therapeutically effective amount of a compound of Formula I. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula I.

  本发明涵盖了式I的新化合物，以及一种治疗环氧合酶-2介导疾病的方法，包括向需要此类治疗的患者施用式I化合物的非毒性治疗有效量。 ##STR1## 本发明还涵盖了用于治疗环氧合酶-2介导疾病的某些药物组合物，其包括式I的化合物。
• Synthesis and biological evaluation of 5,6-diarylimidazo[2.1-b]thiazole as selective COX-2 inhibitors
  作者：Michel Thérien、Christine Brideau、Chi Chung Chan、Wanda A. Cromlish、Jacques Yves Gauthier、Robert Gordon、Gillian Greig、Stacia Kargman、Cheuk Kun Lau、Yves Leblanc、Chun-Sing Li、Gary P. O'Neill、Denis Riendeau、Patrick Roy、Zhaoyin Wang、Lijing Xu、Petpiboon Prasit

  DOI：10.1016/s0960-894x(96)00580-x

  日期：1997.1

  A series of 5,6-diarylimidazo[2.1-b]thiazole compounds were prepared and their inhibitory potencies against COX-2 and Cox-1 enzymes were measured. This led to the identification of L-766,112 as a potent, orally active and selective inhibitor of the COX-2 enzyme. Copyright (C) 1996 Elsevier Science Ltd
• ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS
  申请人：Merck Frosst Canada & Co.

  公开号：EP0802917B1

  公开（公告）日：2001-11-07
• US5552422A
  申请人：——

  公开号：US5552422A

  公开（公告）日：1996-09-03