环丁基(2-氟苯基)甲酮 | 898790-94-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 环丁基(2-氟苯基)甲酮
• 英文名称: 2-Fluorophenyl cyclobutyl ketone
• 英文别名: cyclobutyl-(2-fluorophenyl)methanone
• CAS: 898790-94-8
• 化学式: C₁₁H₁₁FO
• 分子量: 178.206
• InChiKey: MSDADPFNGLVOAE-UHFFFAOYSA-N

物化性质

• 沸点：
  256.5±13.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  环丁基(2-氟苯基)甲酮 在 lithium aluminium tetrahydride 、 三溴化磷 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成
  参考文献：
  名称：

  The design and synthesis of novel, phosphonate-containing transient receptor potential melastatin 8 (TRPM8) antagonists

  摘要：

  A series of benzothiophene-based phosphonates was synthesized and many analogs within the series were shown to be potent antagonists of the TRPM8 channel. The compounds were obtained as a racemic mixture in 5 synthetic steps, and were tested for TRPM8 antagonist activity in a recombinant, canine TRPM8-expressing cell line using a fluorometric imaging plate reader (FLIPR) assay. Structure-activity relationships were developed initially by modification of the core structure and subsequently by variation of the aromatic substituents and the phosphonate ester. Compound 9l was administered intraperitoneally to rats and demonstrated engagement of the TRPM8 target in both prevention and reversalmodes in an icilin-induced 'wet-dog' shake model. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.02.060

文献信息

• COLD MENTHOL RECEPTOR-1 ANTAGONISTS
  申请人：Colburn Raymond W.

  公开号：US20120053347A1

  公开（公告）日：2012-03-01

  The invention is directed to TRPM8 antagonists of Formula (I). More specifically, the present invention relates to certain novel compounds, methods for preparing compounds, compositions, intermediates and derivatives thereof and methods for treating TRPM8-mediated disorders. Pharmaceutical and veterinary compositions and methods of treating pain and various other disease states or conditions using compounds of the invention are also described.

  这项发明涉及式(I)的TRPM8拮抗剂。更具体地，本发明涉及某些新颖化合物，制备化合物的方法，组合物，中间体及其衍生物，以及治疗TRPM8介导的疾病的方法。还描述了使用本发明化合物治疗疼痛和各种其他疾病状态或病情的药用和兽医组合物及治疗方法。
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