4-(5-Allyl-6-methyl-2-p-tolylpyrimidin-4-ylamino)benzoic acid | 1174196-29-2

• 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: 4-(5-Allyl-6-methyl-2-p-tolylpyrimidin-4-ylamino)benzoic acid
• 英文别名: 4-[[6-methyl-2-(4-methylphenyl)-5-prop-2-enylpyrimidin-4-yl]amino]benzoic acid
• CAS: 1174196-29-2
• 化学式: C₂₂H₂₁N₃O₂
• 分子量: 359.428
• InChiKey: HTOSQCGNJVWEKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  75.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-(5-Allyl-6-methyl-2-p-tolylpyrimidin-4-ylamino)benzoic acid
  参考文献：
  名称：

  Discovery of selective PDE4B inhibitors

  摘要：

  In this study the first PDE4B selective inhibitor is described. Optimization of lead 2-arylpyrimidine derivatives afforded a series of potent PDE4B inhibitors with >100-fold selectivity over the PDE4D isozyme. With a good pharmacokinetic profile, a selected compound exhibited potent anti-inflammatory effects in vivo and showed less emesis compared with Cilomilast. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.121

文献信息

• SELECTIVE PDE4 B INHIBITION AND IMPROVEMENT IN COGNITION IN SUBJECTS WITH BRAIN INJURY
  申请人：TETRA DISCOVERY PARTNERS LLC

  公开号：US20140121221A1

  公开（公告）日：2014-05-01

  Provided herein are methods of improving cognitive ability or memory in a subject that has suffered a brain injury or spinal cord injury by administering a selective PDE4 B inhibitor.
• US8865723B2
  申请人：——

  公开号：US8865723B2

  公开（公告）日：2014-10-21