1-异喹啉-5-基-3-[2-[3-(三氟甲基)苯基]乙基]脲 | 581809-87-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 1-异喹啉-5-基-3-[2-[3-(三氟甲基)苯基]乙基]脲
• 英文名称: N-isoquinolin-5-yl-N'-{2-[3-(trifluoromethyl)phenyl]ethyl}urea
• 英文别名: Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-；1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
• CAS: 581809-87-2
• 化学式: C₁₉H₁₆F₃N₃O
• 分子量: 359.351
• InChiKey: BGQKMFQDIUFOHM-UHFFFAOYSA-N

物化性质

• 沸点：
  484.4±45.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氨基异喹啉 在 碳酸氢钠 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 1-异喹啉-5-基-3-[2-[3-(三氟甲基)苯基]乙基]脲
  参考文献：
  名称：

  N-Isoquinolin-5-yl-N′-aralkyl-urea and -amide antagonists of human vanilloid receptor 1

  摘要：

  Starting from a low micromolar agonist lead identified by high-throughput screening, series of N-isoquinolin-5-yl-N'-aralkyl ureas and analogous amides were developed as potent antagonists of human vanilloid receptor 1 (VR1). The synthesis and structure-activity relationships (SAR) of the series are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.038

文献信息

• Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor
  申请人：——

  公开号：US20040157849A1

  公开（公告）日：2004-08-12

  Compounds of formula (I) 1 are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  式（I）的化合物是新颖的VR1拮抗剂，可用于治疗疼痛、炎症性热性过敏、尿失禁和膀胱过度活动。
• Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor
  申请人：——

  公开号：US20040209884A1

  公开（公告）日：2004-10-21

  Compounds of formula (I) 1 are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  式(I)1的化合物是一种新型的VR1拮抗剂，可用于治疗疼痛、炎性热性过敏、尿失禁和膀胱过度活动。
• Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain
  申请人：Brown Elizabeth Rebecca

  公开号：US20050107388A1

  公开（公告）日：2005-05-19

  The present invention provides compounds of formula (I); pharmaceutically acceptable salts and N-oxides thereof in which A, B, D and E are C or N with the proviso that one or more are N, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are simple substituents, n is 0-3 and y is an aryl, heteroaryl, carbocyclyl or fused-carbocyclyl group; as VR-1 antagonists for treating conditions or diseases in which pain and/or inflammation predominates; the use of the same for manufacturing medicaments, pharmaceutical compositions comprising them and methods of treatment utilising them.

  本发明提供了式（I）的化合物；其药学上可接受的盐和N-氧化物，其中A，B，D和E是C或N，但其中一个或多个是N，R1，R2，R3，R4，R5和R6是简单的取代基，n是0-3，y是芳基，杂环芳基，碳环芳基或融合的碳环芳基基团；作为VR-1拮抗剂，用于治疗疼痛和/或炎症占优势的疾病或症状；同样的用于制造药物、包含它们的制剂和利用它们的治疗方法。
• FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR
  申请人：LEE CHIH-HUNG

  公开号：US20080214524A1

  公开（公告）日：2008-09-04

  Compounds of formula (I) are novel VR1 antagonists that are useful in treating pain, inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity.

  公式（I）的化合物是新型的VR1拮抗剂，可用于治疗疼痛、炎症性热痛敏、尿失禁和膀胱过度活动。
• N-Isoquinolin-5-yl-N′-aralkyl-urea and -amide antagonists of human vanilloid receptor 1
  作者：Michele C. Jetter、Mark A. Youngman、James J. McNally、Sui-Po Zhang、Adrienne E. Dubin、Nadia Nasser、Scott L. Dax

  DOI：10.1016/j.bmcl.2004.04.038

  日期：2004.6

  Starting from a low micromolar agonist lead identified by high-throughput screening, series of N-isoquinolin-5-yl-N'-aralkyl ureas and analogous amides were developed as potent antagonists of human vanilloid receptor 1 (VR1). The synthesis and structure-activity relationships (SAR) of the series are described. (C) 2004 Elsevier Ltd. All rights reserved.