5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-2-methylquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-2-methylquinoline
• 英文别名: 5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline；BOL-303242-X；1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-4-methyl-2-(((2-methylquinolin-5-yl)amino)methyl)pentan-2-ol；1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
• 化学式: C₂₅H₂₆F₄N₂O₂
• 分子量: 462.487
• InChiKey: VJGFOYBQOIPQFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-2-methylquinoline 生成 (+)-5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylamino]-2-methylquinoline 、 化合物 T13451L
  参考文献：
  名称：

  WO2006/50998

  摘要：

  公开号：
• 作为产物：
  描述：

  5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-trifluoromethyl-pentylidenamino]-2-methylquinoline 在 碳酸氢钠 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 13.83h， 以71.2%的产率得到5-[4-(5-fluoro-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-2-methylquinoline
  参考文献：
  名称：

  Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof

  摘要：

  当前发明描述了制造通式VIII的抗炎剂的新合成路线和中间体，其中X1、X2、X3组中的一个选择自氟、氯、溴、羟基、甲氧基、乙氧基、三氟甲基、氨基，而另外的X1、X2、X3组的含义为氢原子，其中Z1、Z2、Z3组中的一个选择自-O-、-S-、-NH-、-N(-CH3)-，而另外的Z1、Z2、Z3组的含义为-CH2-基团，Ar为芳香族基团。

  公开号：

  EP1982976A1

文献信息

• 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents
  申请人：Jaroch Stefan

  公开号：US20060116396A1

  公开（公告）日：2006-06-01

  Compounds of general formula (IIa) or (IIb) and their use as pharmaceutical agents.

  通式为（IIa）或（IIb）的化合物及其作为药物的用途。
• 5-substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents
  申请人：Schering AG

  公开号：US07417056B2

  公开（公告）日：2008-08-26

  Compounds of general formula (IIa) or (IIb) and their use as pharmaceutical agents.

  通式为(IIa)或(IIb)的化合物及其作为药物代理的用途。
• COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN
  申请人：Ward Keith W.

  公开号：US20120316199A1

  公开（公告）日：2012-12-13

  A composition for treating, controlling, reducing, or ameliorating inflammatory pain comprises a dissociated glucocorticoid receptor agonist (“DIGRA”), a prodrug thereof, a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable ester thereof. The composition can comprise an additional anti-inflammatory agent and can be formulated for topical application, injection, or implantation. It may be used in a method of managing post-surgical ocular pain such that it has lower risk of eliciting adverse side effects seen with other therapeutic agents.

  用于治疗、控制、减轻或改善炎症性疼痛的组合物包括解离型糖皮质激素受体激动剂（“DIGRA”）、其前药、其药学上可接受的盐或其药学上可接受的酯。该组合物可以包含额外的抗炎药物，并可制成局部应用、注射或植入剂。它可以用于管理术后眼部疼痛的方法，从而降低与其他治疗剂产生的不良副作用风险。
• Pharmaceutical composition for topical application of poorly soluble compounds
  申请人：Intendis GmbH

  公开号：EP2016935A1

  公开（公告）日：2009-01-21

  The present invention provides a formulation which contains a poorly water soluble pharmaceutically active compound at a concentration of 50 mg per 100 g formulation or above. The solubility is achieved by a mixture of solvents as described herein. Moreover the formulation as described herein may be used as a base formulation to generate a cream, an ointment, a spray, a foam or an oleogel.

  本发明提供了一种制剂，它含有一种水溶性较差的药物活性化合物，浓度为每 100 克制剂 50 毫克或以上。这种溶解度是通过本文所述的混合溶剂实现的。此外，本文所述的制剂还可用作基础制剂，生成膏霜、软膏、喷雾剂、泡沫或油凝胶。
• Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof
  申请人：BAUSCH & LOMB INCORPORATED

  公开号：EP2364707A2

  公开（公告）日：2011-09-14

  A composition for treating, controlling, reducing, ameliorating, or alleviating infections and their inflammatory sequelae comprises a dissociated glucocorticoid receptor agonist ('DIGRA') and an anti-infective agent, such as an antibacterial, antiviral, antifungal, antiprotozoal agent, or a combination thereof. The composition can be formulated for topical application, injection, or implantation.

  一种用于治疗、控制、减少、改善或减轻感染及其炎症后遗症的组合物包含一种解离糖皮质激素受体激动剂（"DIGRA"）和一种抗感染剂，如抗菌剂、抗病毒剂、抗真菌剂、抗原虫剂或其组合。该组合物可配制成外用、注射或植入剂。