1-Methyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-one | 554453-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-Methyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-one
• CAS: 554453-80-4
• 化学式: C₁₇H₂₁N₃O₂
• 分子量: 299.373
• InChiKey: YGNLAEGMTZYUEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  45.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Methyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-one 在 N,N-二异丙基乙胺 、 三氯氧磷 、 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2,3-Dihydro-benzofuran-5-yl)-2-{5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-pyrimidin-2-yl}-2,3,4,9-tetrahydro-1H-beta-carboline
  参考文献：
  名称：

  Synthesis and biological activities of novel β-Carbolines as PDE5 inhibitors

  摘要：

  A series of N-2-furoyl and N(2)pyrimidinyl beta-carbolines was discovered to possess potent inhibitors activity against PDE5. During the synthesis we developed a tandem resin quenching protocol. which allowed us to synthesize large number of target compounds in a rapid fashion. Representative Compounds exhibit superior selectivity to sildenafil versus other isozymes of PDEs. and demonstrated in vivo efficacy in increasing introcavernosal pressure in dogs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01036-3
• 作为产物：
  描述：

  N-甲基脲 、 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 1-Methyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-one
  参考文献：
  名称：

  Synthesis and biological activities of novel β-Carbolines as PDE5 inhibitors

  摘要：

  A series of N-2-furoyl and N(2)pyrimidinyl beta-carbolines was discovered to possess potent inhibitors activity against PDE5. During the synthesis we developed a tandem resin quenching protocol. which allowed us to synthesize large number of target compounds in a rapid fashion. Representative Compounds exhibit superior selectivity to sildenafil versus other isozymes of PDEs. and demonstrated in vivo efficacy in increasing introcavernosal pressure in dogs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01036-3

文献信息

• Substituted Pyridone Derivative
  申请人：Ohtake Norikazu

  公开号：US20080269287A1

  公开（公告）日：2008-10-30

  Compounds of a formula (I) [wherein, A represents formula (III-1) R3 is a hydrogen, lower alkyl et al; m is 0 or 1; R1 is a hydrogen atom, halogen atom et al, R2 is a hydrogen et al; p is 0 to 4; X is a carbon atom or nitrogen atom; and X1 to X4 is a lower alkyl et al], or pharmaceutical acceptable salts thereof. These have a potency antagonistic to binding to histamine H3 receptor, or have a potency inhibiting the constant activity of histamine H3 receptor, and are useful in the therapy of obesity, diabetes et al.

  公式（I）的化合物[其中，A代表公式（III-1），R3是氢，低碳基等; m为0或1; R1是氢原子，卤原子等，R2是氢等; p为0到4; X是碳原子或氮原子; X1到X4是低碳基等]，或其药学上可接受的盐。这些化合物具有对组胺H3受体的拮抗作用，或具有抑制组胺H3受体的恒定活性的功效，并可用于肥胖症、糖尿病等疾病的治疗。
• US8158652B2
  申请人：——

  公开号：US8158652B2

  公开（公告）日：2012-04-17