4-methyl-2-pyrimidin-2-yl-4-(2,3,5-trifluorobenzyl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]-1,4-dihydroisoquinolin-3(2H)-one | 1207713-61-8

• 分子结构分类: 有机化合物
• 英文名称: 4-methyl-2-pyrimidin-2-yl-4-(2,3,5-trifluorobenzyl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
• 英文别名: 4-methyl-2-pyrimidin-2-yl-6-[3-(2,2,2-trifluoroethoxy)phenyl]-4-[(2,3,5-trifluorophenyl)methyl]-1H-isoquinolin-3-one
• CAS: 1207713-61-8
• 化学式: C₂₉H₂₁F₆N₃O₂
• 分子量: 557.495
• InChiKey: CREBWNPFPWUZEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers
  申请人：Duffy Joseph L.

  公开号：US20110136842A1

  公开（公告）日：2011-06-09

  A series of disubstituted dihydroisoquinolinone and isoquinolinedione derivatives represented by Formula I, or pharmaceutically acceptable salts thereof are presented. 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, calcium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, urinary incontinence, itchiness, allergic dermatitis, epilepsy, diabetic neuropathy, irritable bowel syndrome, depression, anxiety, multiple sclerosis, sleep disorder, bipolar disorder and stroke, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds.

  本文介绍了由式I所代表的一系列二取代二氢异喹啉酮和异喹啉二酮衍生物，或其药学上可接受的盐。制药组合物包括即时化合物的有效量，单独或与一种或多种其他治疗活性化合物结合，并且药学上可接受的载体。治疗与钙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、炎症性疼痛、神经病理性疼痛、尿失禁、瘙痒、过敏性皮炎、癫痫、糖尿病神经病变、肠易激综合征、抑郁症、焦虑症、多发性硬化、睡眠障碍、双相情感障碍和中风，包括单独或与一种或多种其他治疗活性化合物结合的即时化合物的有效量的给药。