[3-nitro-4-(trifluoromethyl)phenyl]methanol | 372119-86-3

• 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: [3-nitro-4-(trifluoromethyl)phenyl]methanol
• 英文别名: (3-Nitro-4-(trifluoromethyl)phenyl)methanol
• CAS: 372119-86-3
• 化学式: C₈H₆F₃NO₃
• 分子量: 221.136
• InChiKey: QHXWKXXIUPYXPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [3-nitro-4-(trifluoromethyl)phenyl]methanol 在 palladium on activated charcoal 硫酸 、 氢气 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 反应 8.0h， 生成 3-溴-4-(三氟甲基)苯甲醛
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of a Novel Series of 2,3,5,6,7,9-Hexahydrothieno[3,2-b]quinolin-8(4H)-one 1,1-Dioxide K_ATP Channel Openers:  Discovery of (−)-(9S)-9-(3-Bromo-4-fluorophenyl)-2,3,5,6,7,9- hexahydrothieno[3,2-b]quinolin-8(4H)-one 1,1-Dioxide (A-278637), a Potent K_ATP Opener That Selectively Inhibits Spontaneous Bladder Contractions

  摘要：

  Structure-activity relationships were investigated on a novel series of sulfonyldihydropyridine-containing K-ATP openers. Ring sizes, absolute stereochemistry, and aromatic substitution were evaluated for K-ATP activity in guinea pig bladder cells using a fluorescence-based membrane potential assay and in a pig bladder strip assay. The inhibition of spontaneous bladder contractions in vitro was also examined for a select group of compounds. All compounds studied showed greater potency to inhibit spontaneous bladder contractions relative to their potencies to inhibit contractions elicited by electrical stimulation. In an anesthetized pig model of myogenic bladder overactivity, compound 14 and (-)-cromakalim 1 were found to inhibit spontaneous bladder contractions in vivo at plasma concentrations lower than those that affected hemodynamic parameters. Compound 14 showed approximately 5-fold greater selectivity than I in vivo and supports the concept that bladder-selective K-ATP channel openers may have utility in the treatment of overactive bladder.

  DOI：

  10.1021/jm030356w
• 作为产物：
  描述：

  4-三氟甲基苯甲酸 在 盐酸 、 硝酸 作用下， 以 四氢呋喃 、 甲醇 、 硫酸 为溶剂， 以20%的产率得到[3-nitro-4-(trifluoromethyl)phenyl]methanol
  参考文献：
  名称：

  Novel radioligands and their use for identifying potassium channel modulators

  摘要：

  本发明涉及新型放射配体和使用这些放射配体在筛选化合物中的测试方法。

  公开号：

  US20030065182A1

文献信息

• Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers
  申请人：——

  公开号：US20020007059A1

  公开（公告）日：2002-01-17

  Compounds of formula I 1 are useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.

  公式I的化合物在治疗由钾通道开放剂预防或改善的疾病中很有用。还公开了钾通道开放组合物和在哺乳动物中开放钾通道的方法。
• Novel radioligands and their use for identifying potassium channel modulators
  申请人：——

  公开号：US20030065182A1

  公开（公告）日：2003-04-03

  The present invention relates to novel radioligands and test methods using those radioligands in screening compounds.

  本发明涉及新型放射配体和使用这些放射配体在筛选化合物中的测试方法。
• Dihydronaphthyridine potassium channel openers
  申请人：——

  公开号：US20020099070A1

  公开（公告）日：2002-07-25

  Compounds of formula I 1 are useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.

  化合物I1的公式在治疗由钾通道开放剂预防或改善的疾病中很有用。还公开了钾通道开放组合物和在哺乳动物中开放钾通道的方法。
• [EN] RADIOLIGANDS AND THEIR USE FOR IDENTIFYING POTASSIUM CHANNEL MODULATORS<br/>[FR] RADIOLIGANDS ET LEUR UTILISATION POUR L'IDENTIFICATION DE MODULATEURS DES CANAUX POTASSIQUES
  申请人：ABBOTT LAB

  公开号：WO2003011869A1

  公开（公告）日：2003-02-13

  The present invention relates to novel radioligands and test methods using those radioligands in screening compounds.

  本发明涉及新型放射性配基和使用这些放射性配基在筛选化合物中的测试方法。
• [EN] PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES PYRANO, PIPERIDINO ET THIOPYRANO ET TECHNIQUES D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2001083484A1

  公开（公告）日：2001-11-08

  The present invention provides novel compounds of formula (I), which may be useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions.

  本发明提供了一种新的化合物公式(I)，可能在超极化细胞膜、开放钾通道、放松平滑肌细胞和抑制膀胱收缩方面有用。