2-(4-(5-Allyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-ylamino)phenyl)acetic acid | 1174196-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-(5-Allyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-ylamino)phenyl)acetic acid
• 英文别名: 2-[4-[[2-(4-methoxyphenyl)-6-methyl-5-prop-2-enylpyrimidin-4-yl]amino]phenyl]acetic acid
• CAS: 1174196-40-7
• 化学式: C₂₃H₂₃N₃O₃
• 分子量: 389.454
• InChiKey: BGZQSZZZEVNBPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  84.3
• 氢给体数：
  2
• 氢受体数：
  6

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 2-(4-(5-Allyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-ylamino)phenyl)acetic 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

• 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS
  申请人：GRÜNENTHAL GMBH

  公开号：US20150353507A1

  公开（公告）日：2015-12-10

  The invention relates to novel substituted condensed pyrimidine compounds of general formula (I) in which the chemical groupings, substituents and indices are as defined in the description, and to their use as medicaments, in particular as medicaments for the treatment of conditions and diseases that can be treated by inhibition of the PDE4 enzyme.

  本发明涉及一种新型的取代的紧缩嘧啶化合物，其一般式为(I)，其中化学基团、取代基和指数在描述中定义，并且涉及它们作为药物的用途，特别是作为治疗可以通过抑制PDE4酶来治疗的疾病和病症的药物。
• US9505724B2
  申请人：——

  公开号：US9505724B2

  公开（公告）日：2016-11-29
• Discovery of selective PDE4B inhibitors
  作者：Kenji Naganuma、Akifumi Omura、Naomi Maekawara、Masahiro Saitoh、Naoto Ohkawa、Takashi Kubota、Hiromitsu Nagumo、Toshiyuki Kodama、Masayoshi Takemura、Yuji Ohtsuka、Junji Nakamura、Ryuichi Tsujita、Koh Kawasaki、Hirotsugu Yokoi、Masashi Kawanishi

  DOI：10.1016/j.bmcl.2009.04.121

  日期：2009.6

  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.