2-nitro-4-(3-trifluoromethylpyridin-2-yl)benzoic acid | 573676-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-nitro-4-(3-trifluoromethylpyridin-2-yl)benzoic acid
• 英文别名: 2-nitro-4-[3-(trifluoromethyl)pyridin-2-yl]benzoic acid
• CAS: 573676-07-0
• 化学式: C₁₃H₇F₃N₂O₄
• 分子量: 312.205
• InChiKey: CNTPPQDXZZGYCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-nitro-4-(3-trifluoromethylpyridin-2-yl)benzoic acid 在 palladium 10% on activated carbon 盐酸 、 氢气 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， -78.0~60.0 ℃ 、344.75 kPa 条件下， 反应 99.0h， 生成 4-hydroxy-7-(3-trifluoromethyl-pyridin-2-yl)-1H-quinolin-2-one
  参考文献：
  名称：

  [EN] SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES
  [FR] ANALOGUES DE QUINOLINE-4-YLAMINE SUBSTITUEE

  摘要：

  公开号：

  WO2005007652A3
• 作为产物：
  描述：

  4-甲苯硼酸 在 吡啶 、 potassium permanganate 、 四(三苯基膦)钯 、 硝酸 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成 2-nitro-4-(3-trifluoromethylpyridin-2-yl)benzoic acid
  参考文献：
  名称：

  从芳基脲到联芳基酰胺再到氨基喹唑啉：发现新型有效的TRPV1拮抗剂。

  摘要：

  铅VR1拮抗剂1中芳基环的哌嗪生物等位取代导致了联芳基酰胺系列的产生。B环SAR的发展导致构象受限的类似物70。所得氨基喹唑啉70代表一种新型VR1拮抗剂，与先导系列的类似化合物相比，具有更高的体外效价和口服生物利用度。

  DOI：

  10.1016/j.bmcl.2006.07.010

文献信息

• Vanilloid receptor ligands and their use in treatments
  申请人：Ncube Vellah Mghele

  公开号：US20050165015A1

  公开（公告）日：2005-07-28

  Compounds having the general structure and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritus, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构的化合物及其组合物，用于治疗急性、炎症性和神经痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定的膀胱疾病、牛皮癣、伴有炎症成分的皮肤疾病、慢性炎症症状、炎症性疼痛及相关的过敏性疼痛和触痛、神经痛及相关的过敏性疼痛和触痛、糖尿病性神经病痛、烧灼性疼痛、交感神经维持性疼痛、感觉缺失综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、消化或血管区域内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂引起的胃病变、毛发生长、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。
• Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20050215575A1

  公开（公告）日：2005-09-29

  Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了(7-吡啶基-4-苯基氨基喹唑啉-2-基)-甲醇类似物。这些化合物是配体，可用于调节体内或体外特定受体的活性，并在治疗与人类、驯养伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。提供了用于治疗这些疾病的药物组合物和使用它们的方法，以及用于受体定位研究的这种配体的方法。
• [EN] 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS<br/>[FR] ANALOGUES DE QUINAZOLIN-4-YLAMINE 2-SUBSTITUEE COMME MODULATEURS DES RECEPTEURS DE LA CAPSICINE
  申请人：NEUROGEN CORP

  公开号：WO2004055003A1

  公开（公告）日：2004-07-01

  Certain 2-substituted quinazolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了某些2-取代的喹唑啉-4-胺类似物。这些化合物是配体，可用于调节体内或体外特定受体的活性，并且在治疗与人类、驯养伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。还提供了用于治疗此类疾病的药物组合物和使用它们的方法，以及用于受体定位研究的配体使用方法。
• [EN] SUBSTITUTED CINNOLIN-4-YLAMINES<br/>[FR] CINNOLIN-4-YLAMINES SUBSTITUEES
  申请人：NEUROGEN CORP

  公开号：WO2005099710A1

  公开（公告）日：2005-10-27

  Substituted cinnolin-4-ylamines are provided, of the Formula (I): wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using such compounds to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了替代的喹啉-4-基胺化合物，化学式为(I)：其中变量如本文所述。这些化合物是配体，可用于调节体内或体外的特定受体活性，并在治疗与人类、驯养伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。提供了用于治疗这些疾病的药物组合物和方法，以及用于受体定位研究的配体使用方法。
• Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators
  申请人：Bakthavatchalam Rajagopal

  公开号：US20060089354A1

  公开（公告）日：2006-04-27

  Acid-substituted quinazolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  本发明提供了酸取代的喹唑啉-4-胺类似物。这些化合物是配体，可用于调节体内或体外特定受体活性，并且在治疗与人类、驯养伴侣动物和家畜动物的病理性受体激活相关的情况中特别有用。提供了制药组合物和使用它们治疗此类疾病的方法，以及使用这样的配体进行受体定位研究的方法。