N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenylsulfonyl]-4-nitroxybutanamide | 586347-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenylsulfonyl]-4-nitroxybutanamide
• 英文别名: [4-[[4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]-4-oxobutyl] nitrate
• CAS: 586347-45-7
• 化学式: C₂₁H₁₉F₃N₄O₆S
• 分子量: 512.466
• InChiKey: PXMOJHNOCQAPLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  145
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenylsulfonyl]-4-chlorobutanamide 在 silver nitrate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 生成 N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenylsulfonyl]-4-nitroxybutanamide
  参考文献：
  名称：

  [EN] NITROOXYDERIVATIVES OF CYCLOOXYGENASE-2 INHIBITORS
  [FR] DÉRIVÉS NITRO-OXY DES INHIBITEURS DE LA CYCLOOXYGÉNASE-2

  摘要：

  公开号：

  WO2004000781A3

文献信息

• [EN] NO-RELEASING NITROOXY-CHROMENE CONJUGATES<br/>[FR] CONJUGUÉS NITROOXY-CHROMÈNE À LIBÉRATION DE NO
  申请人：EUCLISES PHARMACEUTICALS INC

  公开号：WO2015109011A1

  公开（公告）日：2015-07-23

  The present invention provides NO-releasing nitrooxy-alkylenyl-linked-chromene conjugates, having the structure of Formula (1 ) wherein R1, R2, R3, R4, X, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound o Formula (I); and methods useful for healing wounds, preventing and treating cancer and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (1).

  本发明提供了NO释放的硝基氧烷基连接的香豆素共轭物，其具有如下式（1）的结构，其中R1、R2、R3、R4、X和L如详细描述中所定义；包含至少一种Formula（I）化合物的药物组合物；以及使用Formula（1）化合物有益于愈合伤口、预防和治疗癌症以及治疗日光性角化症、囊性纤维化和痤疮的方法。
• NO-RELEASING NITROOXY-CHROMENE CONJUGATES
  申请人：EUCLISES PHARMACEUTICALS, INC.

  公开号：US20160340330A1

  公开（公告）日：2016-11-24

  The present invention provides NO-releasing nitrooxy-alkylenyl-linked-chromene conjugates, having the structure of Formula (1) wherein R1, R2, R3, R4, X, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound o Formula (I); and methods useful for healing wounds, preventing and treating cancer and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (1).

  本发明提供了NO释放的硝基氧烷基连接的色酮共轭物，其具有如下式（1）的结构，其中R1、R2、R3、R4、X和L如详细描述中所定义；包含至少一种Formula（I）化合物的药物组合物；以及使用Formula（1）化合物有益于愈合伤口、预防和治疗癌症以及治疗光老化性角化症、囊性纤维化和痤疮的方法。
• NO-RELEASING NITROOXY-METHYLENE-LINKED-COXIB CONJUGATES
  申请人：Euclises Pharmaceuticals, Inc.

  公开号：US20150197494A1

  公开（公告）日：2015-07-16

  The present invention provides NO-releasing nitrooxy-alkylene-linked-celecoxib conjugates, having the structure of Formula (I): wherein R 1 , R 2 , Q, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound of Formula (I); and methods useful for healing wounds, preventing and treating cancer, and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (I).

  本发明提供了NO释放的硝基氧烷基连接的Celecoxib共轭物，其具有如下式（I）的结构： 其中R1、R2、Q和L如详细描述中所定义；包含至少一种式（I）化合物的药物组合物；以及使用式（I）化合物有益于愈合伤口、预防和治疗癌症、治疗日光性角化症、囊性纤维化和痤疮的方法。
• Nitrooxyderivatives of cyclooxygenase-2 inhibitors
  申请人：Del Soldato Piero

  公开号：US20060106082A1

  公开（公告）日：2006-05-18

  New compounds able to release COX-2 inhibitors and NO having formula (I): M-T-Y A —NO 2 (I) for the treatment and/or prophylaxis of inflammatory processes.

  新化合物具有公式(I): M-T-YA—NO2(I)，能够释放COX-2抑制剂和一氧化氮，用于治疗和/或预防炎症过程。
• NO-RELEASING GUANIDINE-COXIB ANTI-CANCER AGENTS
  申请人：Euclises Pharmaceuticals, Inc

  公开号：US20140018403A1

  公开（公告）日：2014-01-16

  The present disclosure provides NO-releasing guanidine-coxib anti-cancer agents, having the structure of Formula (I): wherein R 1 , R 11 , Z and L are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds of Formula (I); and methods useful for healing wounds, preventing and treating cancer, or treating actinic keratosis, cystic fibrosis, acne, or a disease mediated by arginine deficiency using a compound of Formula (I).

  本公开提供了一种具有NO释放的guanidine-coxib抗癌剂，其结构式为（I）：其中R1，R11，Z和L如详细描述中所定义；包含至少一种化合物（I）的药物组合物；以及使用化合物（I）治疗创伤、预防和治疗癌症、治疗光化性角化症、囊性纤维化、痤疮或由精氨酸缺乏介导的疾病的有用方法。