7-trifluoromethyl-chroman-4-one O-methyl-oxime | 890838-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-trifluoromethyl-chroman-4-one O-methyl-oxime
• 英文别名: N-methoxy-7-(trifluoromethyl)-2,3-dihydrochromen-4-imine
• CAS: 890838-99-0
• 化学式: C₁₁H₁₀F₃NO₂
• 分子量: 245.201
• InChiKey: IWXWFFHBMXIHAP-UHFFFAOYSA-N

物化性质

• 沸点：
  276.0±50.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-trifluoromethyl-chroman-4-one O-methyl-oxime 在 palladium 10% on activated carbon 、 氨 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、413.69 kPa 条件下， 反应 1.0h， 生成 (S)-7-三氟甲基苯并二氢吡喃-4-胺
  参考文献：
  名称：

  Chroman and tetrahydroquinoline ureas as potent TRPV1 antagonists

  摘要：

  Novel chroman and tetrahydroquinoline ureas were synthesized and evaluated for their activity as TRPV1 antagonists. It was found that aryl substituents on the 7- or 8-position of both bicyclic scaffolds imparted the best in vitro potency at TRPV1. The most potent chroman ureas were assessed in chronic and acute pain models, and compounds with the ability to cross the blood-brain barrier were shown to be highly efficacious. The tetrahydroquinoline ureas were found to be potent CYP3A4 inhibitors, but replacement of bulky substituents at the nitrogen atom of the tetrahydroisoquinoline moiety with small groups such as methyl can minimize the inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.056
• 作为产物：
  描述：

  甲氧基胺盐酸盐 、 7-(三氟甲基)色满-4-酮 在 吡啶 作用下， 反应 18.0h， 以74%的产率得到7-trifluoromethyl-chroman-4-one O-methyl-oxime
  参考文献：
  名称：

  Prodrugs of compounds that inhibit TRPV1 receptor

  摘要：

  式（I）的化合物 其中A，R1，R2和R3在规范中定义，并且这些化合物可用作治疗化合物，特别用于治疗与炎症、疼痛、膀胱过度活动、尿失禁以及由TRPV1引起或加重的其他疾病或症状相关的紊乱。

  公开号：

  US20070099954A1

文献信息

• Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof
  申请人：Gomtsyan Arthur

  公开号：US20060128689A1

  公开（公告）日：2006-06-15

  Compounds that are antagonists of the VR1 receptor, having formula (I) or a pharmaceutically acceptable salt, prodrug, or salt of a prodrug thereof, wherein A 1 , A 2 , A 3 , A 4 , R 7 , R 8 , R 9 , X, Y, Z, L, n, and m, are as defined herein, and are useful in disorders prevented or ameliorated by inhibiting the VR1 receptor.

  对VR1受体拮抗剂，其化学式为(I)或其药用可接受的盐、前药或前药的盐，其中A1、A2、A3、A4、R7、R8、R9、X、Y、Z、L、n和m的定义如本文所述，并且在通过抑制VR1受体预防或改善的疾病中具有用处。