3-[4-(methylsulfonyl)phenyl]-2-phenyl-2-cyclopenten-1-one

• 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: 3-[4-(methylsulfonyl)phenyl]-2-phenyl-2-cyclopenten-1-one
• 英文别名: 3[4-(methylsulfonyl) phenyl]-2-phenyl-2-cyclopenten-1-one；3-(4-Methanesulfonyl-phenyl)-2-phenyl-cyclopent-2-enone；3-(4-methylsulfonylphenyl)-2-phenylcyclopent-2-en-1-one
• 化学式: C₁₈H₁₆O₃S
• 分子量: 312.389
• InChiKey: UNHXJQNYRJHGEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴茴香硫醚 在 sodium tungstate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 正丁基锂 、 硫酸 、 双氧水 、 甲基三辛基氯化铵 、 二乙胺 、 三苯基膦 作用下， 以 丙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 6.0h， 生成 3-[4-(methylsulfonyl)phenyl]-2-phenyl-2-cyclopenten-1-one
  参考文献：
  名称：

  2,3-Diarylcyclopentenones as Orally Active, Highly Selective Cyclooxygenase-2 Inhibitors

  摘要：

  Cyclopentenones containing a 4-(methylsulfonyl)phenyl group in the 3-position and a phenyl ring in the 2-position are selective inhibitors of cyclooxygenase-2 (COX-2). The selectivity for COX-2 over COX-1 is dramatically improved by substituting the 2-phenyl group with halogens in the meta position or by replacing the phenyl ring with a 2- or 3-pyridyl ring. Thus the 3,5-difluorophenyl derivative 7 (L1776,967) and the 3-pyridyl derivative 13 (L-784,506) are particularly interesting as potential antiinflammatory agents with reduced side-effect profiles. Both exhibit good oral bioavailability and are potent in standard models of pain, fever, and inflammation yet have a much reduced effect on the GI integrity of rats compared to standard nonsteroidal antiflammatory drugs.

  DOI：

  10.1021/jm980642l

文献信息

• Combination therapy for the treatment of cancer
  申请人：Pharmacia Corporation

  公开号：US20030216410A1

  公开（公告）日：2003-11-20

  The present invention relates to methods for treatment or prevention of neoplasia disorders using protein tyrosine kinase inhibitors in combination with cyclooxygenase inhibitors, in particular cyclooxygenase-2 selective inhibitors.

  本发明涉及使用蛋白酪氨酸激酶抑制剂与环氧合酶抑制剂，特别是环氧合酶-2选择性抑制剂，联合治疗或预防肿瘤性疾病的方法。
• Antiangiogenic combination therapy for the treatment of cancer
  申请人：——

  公开号：US20020103141A1

  公开（公告）日：2002-08-01

  The present invention provides combinations of a DNA topoisomerase I inhibiting agent and a selective COX-2 inhibiting agent for preventing, treating, and/or reducing the risk of developing a neoplasia disorder in a mammal.

  本发明提供了一种DNA拓扑异构酶I抑制剂和选择性COX-2抑制剂的组合物，用于预防、治疗和/或减少哺乳动物发生肿瘤性疾病的风险。
• Method for the treatment and prevention of cachexia
  申请人：Washington University

  公开号：US20030087942A1

  公开（公告）日：2003-05-08

  Cachexia, including anorexia and other forms of weight loss, is a frequent complication of acute and chronic infections, and result from induction of cytokines, prostaglandins, and other inflammatory mediators that are critical for pathogen elimination. The present invention includes methods for the treatment or prevention of cachexic conditions while maintaining the production of factors essential for infection control through the administration of an effective amount of a cyclooxygenase-2 selective inhibiting compound.

  消瘦症，包括厌食和其他形式的体重减轻，是急性和慢性感染的常见并发症，由细胞因子、前列腺素和其他炎症介质的诱导引起，这些介质对病原体清除至关重要。本发明包括通过给予有效量的环氧合酶-2选择性抑制化合物来治疗或预防消瘦症状，同时保持对感染控制至关重要的因子的产生的方法。
• Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy
  申请人：Pharmacia Corporation

  公开号：US20040122011A1

  公开（公告）日：2004-06-24

  The present invention provides compositions and methods to treat, prevent or inhibit a neoplasia, a neoplasia-related disorder, pain, inflammation, an inflammatory-related disorder, a vaso-occlusive event or a vaso-occlusive-related disorder in a mammal using a combination of a COX-2 inhibitor and a TACE inhibitor.

  本发明提供了一种使用COX-2抑制剂和TACE抑制剂的组合物和方法，以治疗、预防或抑制哺乳动物中的肿瘤、肿瘤相关疾病、疼痛、炎症、炎症相关疾病、血管闭塞性事件或血管闭塞性相关疾病。
• Method of using a COX-2 inhibitor and an alkylating-type antineoplastic agent as a combination therapy in the treatment of neoplasia
  申请人：Pharmacia Corporation

  公开号：US20040072889A1

  公开（公告）日：2004-04-15

  The present invention provides compositions and methods to treat, prevent or inhibit a neoplasia or a neoplasia-related disorder in a mammal using a combination of a COX-2 inhibitor and an alkylating-type antineoplastic agent.

  本发明提供了一种使用COX-2抑制剂和烷基化类抗肿瘤药物的组合来治疗、预防或抑制哺乳动物中的肿瘤或与肿瘤相关的疾病的组合物和方法。