3-(5-Fluoro-2-methoxy-phenyl)-3-methyl-1-(pyridin-2-ylmethyl)-1-trifluoromethyl-butylamine

• 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-(5-Fluoro-2-methoxy-phenyl)-3-methyl-1-(pyridin-2-ylmethyl)-1-trifluoromethyl-butylamine
• 英文别名: 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-amine
• 化学式: C₁₉H₂₂F₄N₂O
• 分子量: 370.39
• InChiKey: WVVGOFARROBDBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  碳酸甲丙酯 、 2-methylpropane-2-sulfinic acid [3-(5-fluoro-2-methoxyphenyl)-3-methyl-1-trifluoromethylbut-(Z)-ylidene]-amide 在 盐酸 、 叔丁基锂 作用下， 以 四氢呋喃 、 甲醇 、 正戊烷 为溶剂， 以24 mg (25%)的产率得到3-(5-Fluoro-2-methoxy-phenyl)-3-methyl-1-(pyridin-2-ylmethyl)-1-trifluoromethyl-butylamine
  参考文献：
  名称：

  Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof

  摘要：

  一种符合Formula (IA)或Formula (IB)1的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8如本文所定义，或其互变异构体、前药、溶剂合物或盐；含有这些化合物的药物组合物，以及使用这些化合物调节糖皮质激素受体功能、治疗由糖皮质激素受体功能介导或以炎症、过敏或增生过程为特征的疾病状态或病情的方法。

  公开号：

  US20040010148A1

文献信息

• [EN] 4-(ARYL OR HETEROARYL) -2-BUTYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANS<br/>[FR] DERIVES DE 4-(ARYLE OU HETEROARYLE)-2-BUTYLAMINE ET LEUR UTILISATION EN TANT QUE LIGANDS DE GLUCOCORTICOIDES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2003104195A1

  公开（公告）日：2003-12-18

  A compound of Formula (IA) or Formula (IB) wherein R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein, or a tautomer, prodrug, solvate, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.

  一种由式（IA）或式（IB）所表示的化合物，其中R1、R2、R3、R4、R5、R6、R7和R8如本文所定义，或其互变异构体、前药、溶剂化合物或盐；含有这些化合物的药物组合物，以及使用这些化合物调节糖皮质激素受体功能的方法，以及使用这些化合物治疗由糖皮质激素受体功能介导或以炎症、过敏或增殖过程为特征的疾病状态或病情的方法。
• 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。
• 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。
• Compositions and methods for treating or preventing glaucoma or progression thereof
  申请人：BAUSCH & LOMB INCORPORATED

  公开号：EP2397140A1

  公开（公告）日：2011-12-21

  A composition for treating or preventing glaucoma or its progression 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 combination with another therapy directed to reducing intraocular pressure.

  一种用于治疗或预防青光眼或青光眼进展的组合物包含一种离体糖皮质激素受体激动剂（"DIGRA"）、其原药、其药学上可接受的盐或其药学上可接受的酯。该组合物可包含一种额外的抗炎剂，并可配制成外用、注射或植入剂。它可与另一种降低眼内压的疗法联合使用。
• 4-(ARYL OR HETEROARYL) -2-BUTYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANS
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS INC.

  公开号：EP1513810A1

  公开（公告）日：2005-03-16