(R)-1-(2,2,2-trifluoro-ethyl)-3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one | 950509-60-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (R)-1-(2,2,2-trifluoro-ethyl)-3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
• 英文别名: (R)-1-(2,2,2-trifluoro-ethyl)-3-(trityl-amino)-1,3,4,5-tetrahydro-1-benzazepin-2-one；(3R)-1-(2,2,2-trifluoroethyl)-3-(tritylamino)-4,5-dihydro-3H-1-benzazepin-2-one
• CAS: 950509-60-1
• 化学式: C₃₁H₂₇F₃N₂O
• 分子量: 500.563
• InChiKey: CAKFULYOENUJCE-HHHXNRCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-1-(2,2,2-trifluoro-ethyl)-3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one 在 盐酸 、 lithium aluminium tetrahydride 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 tert-butyl (R)-1-oxo-3-phenyl-1-((R)-1-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)propan-2-ylcarbamate
  参考文献：
  名称：

  Discovery of a novel class of benzazepinone Nav1.7 blockers: Potential treatments for neuropathic pain

  摘要：

  A series of benzodiazepines and benzazepinones were synthesized and evaluated as potential sodium channel blockers in a functional, membrane potential-based assay. One member of the benzazepinone series, compound 47, displayed potent, state-dependent block of hNa(v) 1.7,and was orally efficacious in a rat model of neuropathic pain. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.076
• 作为产物：
  描述：

  2,2,2-三氟乙基三氟甲烷磺酸酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.5h， 生成 (R)-1-(2,2,2-trifluoro-ethyl)-3-(tritylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
  参考文献：
  名称：

  WO2007/145922

  摘要：

  公开号：

文献信息

• Benzaepinones as sodium channel blockers
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07888345B2

  公开（公告）日：2011-02-15

  Benzazepinone compounds represented by Formula (I), or pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, epilepsy, irritable bowel syndrome, urinary incontinence, pruritis, itchiness, allergic dermatitis, depression, anxiety, multiple sclerosis, and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  公式（I）所代表的苯并氮烷酮化合物，或其药学上可接受的盐。制药组合物包括有效量的本化合物，单独或与一种或多种其他治疗活性化合物结合，并含有药学上可接受的载体。治疗与钠通道活性相关或由其引起的病症的方法，包括例如急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病理性疼痛、癫痫、肠易激综合征、尿失禁、瘙痒、过敏性皮炎、抑郁症、焦虑症、多发性硬化症和躁郁症，包括单独或与一种或多种其他治疗活性化合物结合的本化合物的有效量的给药。给予局部麻醉的方法包括给予本发明化合物的有效量，单独或与一种或多种其他治疗活性化合物结合，并含有药学上可接受的载体。
• Benzaepinones as Sodium Channel Blockers
  申请人：Hoyt Scott B.

  公开号：US20090181946A1

  公开（公告）日：2009-07-16

  Benzazepinone compounds represented by Formula (I), or pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, epilepsy, irritable bowel syndrome, urinary incontinence, pruritis, itchiness, allergic dermatitis, depression, anxiety, multiple sclerosis, and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  公式（I）所代表的苯并氮杂环酮化合物，或其药学上可接受的盐。制药组合物包括有效量的本化合物，单独使用或与一个或多个其他治疗活性化合物结合，并且药学上可接受的载体。治疗与钠通道活性相关或由其引起的疾病的方法，包括例如急性疼痛，慢性疼痛，内脏疼痛，炎性疼痛，神经病理性疼痛，癫痫，肠易激综合征，尿失禁，瘙痒，过敏性皮炎，抑郁症，焦虑症，多发性硬化症和躁郁症，包括单独使用或与一个或多个其他治疗活性化合物结合的本化合物的有效量的给药。一种局部麻醉的给药方法包括给予本发明化合物的有效量，单独使用或与一个或多个其他治疗活性化合物结合，并且药学上可接受的载体。
• US7888345B2
  申请人：——

  公开号：US7888345B2

  公开（公告）日：2011-02-15
• Discovery of a novel class of benzazepinone Nav1.7 blockers: Potential treatments for neuropathic pain
  作者：Scott B. Hoyt、Clare London、David Gorin、Matthew J. Wyvratt、Michael H. Fisher、Catherine Abbadie、John P. Felix、Maria L. Garcia、Xiaohua Li、Kathryn A. Lyons、Erin McGowan、D. Euan MacIntyre、William J. Martin、Birgit T. Priest、Amy Ritter、McHardy M. Smith、Vivien A. Warren、Brande S. Williams、Gregory J. Kaczorowski、William H. Parsons

  DOI：10.1016/j.bmcl.2007.05.076

  日期：2007.8

  A series of benzodiazepines and benzazepinones were synthesized and evaluated as potential sodium channel blockers in a functional, membrane potential-based assay. One member of the benzazepinone series, compound 47, displayed potent, state-dependent block of hNa(v) 1.7,and was orally efficacious in a rat model of neuropathic pain. (c) 2007 Elsevier Ltd. All rights reserved.
• WO2007/145922
  申请人：——

  公开号：——

  公开（公告）日：——