(E)-2-(4-chlorophenyl)-1-(dimethylamino)-4,4-dimethylpent-1-en-3-one | 343609-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-2-(4-chlorophenyl)-1-(dimethylamino)-4,4-dimethylpent-1-en-3-one
• CAS: 343609-94-9
• 化学式: C₁₅H₂₀ClNO
• 分子量: 265.783
• InChiKey: YYASVUNKUYCHIU-JLHYYAGUSA-N

物化性质

• 沸点：
  383.0±42.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-2-(4-chlorophenyl)-1-(dimethylamino)-4,4-dimethylpent-1-en-3-one 以44%的产率得到
  参考文献：
  名称：

  BENNETT G. B.; MASON R. B.; ALDEN L. J.; ROACH J. B., J. MED. CHEM., 1978, 21, NO 7, 623-628

  摘要：

  DOI：
• 作为产物：
  描述：

  三甲基乙腈 以 xylene 为溶剂， 反应 18.0h， 生成 (E)-2-(4-chlorophenyl)-1-(dimethylamino)-4,4-dimethylpent-1-en-3-one
  参考文献：
  名称：

  Identification and Biological Characterization of 6-Aryl-7-isopropylquinazolinones as Novel TRPV1 Antagonists that Are Effective in Models of Chronic Pain

  摘要：

  Vanilloid receptor I (VR1, TRPV1) is a cation-selective ion channel that is expressed on primary afferent neurons and is upregulated following inflammation and nerve damage. Blockers of this channel may have utility in the treatment of chronic nociceptive and neuropathic pain. Here, we describe the optimization from a high throughput screening hit, of a series of 6-aryl-7-isopropylquinazolinones that are TRPV1 antagonists in vitro. We also demonstrate that one compound is active in vivo against capsaicin-induced hyperalgesia and in models of neuropathic and nociceptive pain in the rat.

  DOI：

  10.1021/jm051058x

文献信息

• Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain
  申请人：——

  公开号：US20040138454A1

  公开（公告）日：2004-07-15

  The invention provides compounds of formula I (I) wherein R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the description, and the preparation thereof. The compounds of formula I are useful as pharmaceuticals. 1

  本发明提供了式I（I）的化合物，其中R1，R2，R3，R4和R5如描述中所定义，并提供了其制备方法。式I的化合物可用作药物。
• PYRIDINE DERIVATIVES
  申请人：Novartis AG

  公开号：EP1377576A2

  公开（公告）日：2004-01-07
• US7915264B2
  申请人：——

  公开号：US7915264B2

  公开（公告）日：2011-03-29
• [EN] PYRIDINE DERIVATIVES<br/>[FR] DERIVEE DE LA PYRIDINE
  申请人：NOVARTIS AG

  公开号：WO2002076946A2

  公开（公告）日：2002-10-03

  The invention provides compounds of formula (I) wherein R?1, R2, R3, R4 and R5¿ are as defined in the description, and the preparation thereof. The compounds of formula I are functional blockers of the human vanilloid receptor 1 (hVR1) and are useful as pharmaceuticals; in particular for treating pain.