2-N-(4-methylsulfonylbenzoyl)-amino-5-chloro-2'-chloro-benzophenone | 674802-96-1

• 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-N-(4-methylsulfonylbenzoyl)-amino-5-chloro-2'-chloro-benzophenone
• 英文别名: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-methanesulfonylbenzamide；N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-methylsulfonylbenzamide
• CAS: 674802-96-1
• 化学式: C₂₁H₁₅Cl₂NO₄S
• 分子量: 448.326
• InChiKey: AJZIRURYRUTUEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-N-(4-methylsulfonylbenzoyl)-amino-5-chloro-2'-chloro-benzophenone 以70.2%的产率得到2-(4-methylsulfonylphenyl)-3-(2-chlorophenyl)-5-chloro Indole
  参考文献：
  名称：

  Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof

  摘要：

  本发明涉及含砜基的2,3-二芳基吲哚，特别涉及一般式的新化合物，其制备方法，含有该化合物的药物组合物，以及在治疗与环氧合酶-2（COX-2）抑制有关的疾病中的医疗用途。

  公开号：

  US20040058977A1
• 作为产物：
  描述：

  2-氯苯甲酸 在 氯化亚砜 、 三乙胺 、 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 2-N-(4-methylsulfonylbenzoyl)-amino-5-chloro-2'-chloro-benzophenone
  参考文献：
  名称：

  Synthesis and biological evaluation of substituted 2-sulfonyl-phenyl-3-phenyl-indoles: a new series of selective COX-2 inhibitors

  摘要：

  A new series of substituted 2-sulfonyphenyl-3-phenyl-indole derivatives were synthesized and evaluated for their ability to inhibit COX-2 and COX-lenzymes. Most of the compounds synthesized were found to be highly potent and selective inhibitors of COX-2. This work led to the discovery of 2-aminosulfonylphenyl-3-phenyl-indole 5a which possesses higher activity and selectivity for COX-2 than Celecoxib both in vitro and in vivo. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00046-4

文献信息

• Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof
  申请人：——

  公开号：US20040058977A1

  公开（公告）日：2004-03-25

  The present invention relates to sulfonyl-containing 2,3-diarylindole, especially to new compounds of general Formula, to a preparation method for their preparation, to pharmaceutical compositions containing said compound, and to the medical use thereof in the treatment of diseases relating to the inhibition of cyclooxygenase-2 (COX-2).

  本发明涉及含砜基的2,3-二芳基吲哚，特别涉及一般式的新化合物，其制备方法，含有该化合物的药物组合物，以及在治疗与环氧合酶-2（COX-2）抑制有关的疾病中的医疗用途。
• US6960611B2
  申请人：——

  公开号：US6960611B2

  公开（公告）日：2005-11-01
• Synthesis and biological evaluation of substituted 2-sulfonyl-phenyl-3-phenyl-indoles: a new series of selective COX-2 inhibitors
  作者：Wenhui Hu、Zongru Guo、Fengming Chu、Aiping Bai、Xiang Yi、Guifang Cheng、Jing Li

  DOI：10.1016/s0968-0896(03)00046-4

  日期：2003.4

  A new series of substituted 2-sulfonyphenyl-3-phenyl-indole derivatives were synthesized and evaluated for their ability to inhibit COX-2 and COX-lenzymes. Most of the compounds synthesized were found to be highly potent and selective inhibitors of COX-2. This work led to the discovery of 2-aminosulfonylphenyl-3-phenyl-indole 5a which possesses higher activity and selectivity for COX-2 than Celecoxib both in vitro and in vivo. (C) 2003 Elsevier Science Ltd. All rights reserved.