7-tert-butyl-6-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7-tert-butyl-6-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
• 英文别名: 7-tert-butyl-6-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]-pyrimidin-4-one；7-tert-butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one；7-tert-butyl-6-(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
• 化学式: C₁₇H₁₆ClN₃OS
• 分子量: 345.853
• InChiKey: BOBBYBHJYYJHHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  86.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三甲基乙腈 在 溶剂黄146 作用下， 以 乙醇 、 水 、 xylene 为溶剂， 反应 36.0h， 生成 7-tert-butyl-6-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-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。
• SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS
  申请人：Novartis AG

  公开号：EP2178562A1

  公开（公告）日：2010-04-28
• USE OF COMPOSITIONS TO ENHANCE INNATE IMMUNE RESPONSE
  申请人：Gallo Richard L.

  公开号：US20090088373A1

  公开（公告）日：2009-04-02

  The present invention discloses methods of using of compounds for the enhancement of the innate immune system of a patient. In particular, the active compounds of the present invention include at least one calcineurin inhibitor, mTOR inhibitor or non-immunosuppresive derivative, or a derivative, isomer, or pharmaceutically acceptable salt thereof; and optionally, at least one calciferol or LMW inhibitor, or a derivative, isomer, or pharmaceutically acceptable salt thereof. Pharmaceutical formulations comprising same are also disclosed.
• TREATMENT OF CNIDARIA INTOXICATION
  申请人：Cuypers Eva

  公开号：US20100234454A1

  公开（公告）日：2010-09-16

  The present invention relates to the use of vanilloid receptor (VR) antagonists, and more particularly vanilloid receptor 1 (VR1) antagonist, as analgesics in the treatment and/or prohylaxis of cnidaria envenomations.
• US7915264B2
  申请人：——

  公开号：US7915264B2

  公开（公告）日：2011-03-29