N-({4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}sulfonyl)glycine | 850828-72-7

• 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]phenyl}sulfonyl)glycine
• 英文别名: 2-[[4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]acetic acid
• CAS: 850828-72-7
• 化学式: C₁₉H₁₆F₃N₃O₄S
• 分子量: 439.415
• InChiKey: DPORCFTUIQJASZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N-({4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}sulfonyl)glycine 在 N,N-二甲基甲酰胺 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  [EN] LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER
  [FR] AGENT D'OUVERTURE DE CANAUX K ACTIVES PAR LE CALCIUM A CONDUCTANCE ELEVEE

  摘要：

  公开号：

  WO2005037271A3
• 作为产物：
  描述：

  2-[[[4-[3-(Trifluoromethyl)-5-(4-methylphenyl)-1H-pyrazole-1-yl]phenyl]sulfonyl]amino]acetic acid methyl ester 在 lithium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 N-({4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}sulfonyl)glycine
  参考文献：
  名称：

  WO2006/46123

  摘要：

  公开号：

文献信息

• Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors
  申请人：Pharmacia Corporation

  公开号：US20030069287A1

  公开（公告）日：2003-04-10

  Prodrugs of COX-2 inhibitors and methods of their preparation are described. The prodrugs of COX-2 inhibitors are described as being useful in treating inflammation and inflammation-related disorders.

  本文描述了COX-2抑制剂的前药及其制备方法。所述COX-2抑制剂的前药被描述为在治疗炎症和与炎症相关的疾病方面有用。
• Large conductance calcium-activated k channel opener
  申请人：Imanishi Yasuhiro

  公开号：US20070060629A1

  公开（公告）日：2007-03-15

  The present invention provides a large conductance calcium-activated K channel opener comprising a compound of the formula (I): wherein R 1 and R 3 are each sulfonamide, carbamoyl, acyl, amino, and the like, m and n are each 0 to 2, R 2 and R 4 are each cyano, nitro, hydroxyl, an alkoxy, a halogen, or an alkyl, Ring A is benzene or a heterocyclic ring, Ring B is benzene, a heterocyclic ring, a cycloalkane etc, and Ring Q is pyrazole or isoxazole, or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了一种大导电性钙激活K通道开放剂，其包括以下式子（I）的化合物：其中R1和R3各自为磺酰胺基，氨基甲酰基，酰基，氨基等，m和n各自为0到2，R2和R4各自为氰基，硝基，羟基，烷氧基，卤素或烷基，环A为苯环或杂环，环B为苯环，杂环，环己烷等，环Q为吡唑环或异噁唑环，或其药学上可接受的盐作为活性成分。
• Conjugates with anti-inflammatory activity
  申请人：GlaxoSmithKline istrazivacki centar Zagreb d.o.o.

  公开号：EP2196469A1

  公开（公告）日：2010-06-16

  The present invention relates to new compounds represented by Formula I: wherein M represents a macrolide subunit of the substructure VIII: L represents the chain of the substructure IX or XIII:          -X1-(CH2)m-Q-(CH2)n-X2-     IX          -X1-(CH2)m-V-(CH2)p-Q-(CH2)n-X1-     XIII Z represents the steroid or nonsteroidal subunit derived from steroid or nonsteroidal (NSAID) drugs with anti-inflammatory activity; The present invention relates also to pharmaceutically acceptable salts and solvates of such prepared compounds, to processe and intermediates for their preparation, as well as to the improved therapeutic action and the use in the treatment of inflammatory diseases and conditions in humans and animals.

  本发明涉及由式 I 表示的新化合物： 其中 M 代表子结构 VIII 的大环内酯亚基： L 代表子结构 IX 或 XIII 的链： -X1-(CH2)m-Q-( )n-X2- IX -X1-( )m-V-( )p-Q-( )n-X1- XIII Z 代表从具有抗炎活性的类固醇或非类固醇（NSAID）药物中提取的类固醇或非类固醇亚基； 本发明还涉及此类制备的化合物的药学上可接受的盐和溶液、制备它们的工艺和中间体，以及在治疗人类和动物的炎症性疾病和病症中的改进治疗作用和用途。
• Conjugates with Anti-Inflammatory Activity
  申请人：Mercep Mladen

  公开号：US20090048221A1

  公开（公告）日：2009-02-19

  Compounds represented by Formula I: wherein M represents a macrolide subunit of the substructure VIII: L represents the chain of the substructure IX or XIII: —X 1 —(CH 2 ) m -Q-(CH 2 ) n —X 2 —  IX —X 1 —(CH 2 ) m —V—(CH 2 ) p -Q-(CH 2 ) n —X 2 —  XIII and Z represents a steroid or nonsteroidal subunit derived from steroid or nonsteroidal (NSAID) drugs with anti-inflammatory activity are disclosed. Pharmaceutically acceptable salts and solvates of such compounds, processes and intermediates for their preparation, as well as to the improved therapeutic action and the use in the treatment of inflammatory diseases and conditions in humans and animals are also disclosed.