7-Benzyl-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 7-Benzyl-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione
• 化学式: C₂₀H₂₅N₅O₂
• mdl: MFCD02982977
• 分子量: 367.451
• InChiKey: YFWOBBMPMHHNHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  70.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-溴茶碱 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-Benzyl-8-(cyclohexylamino)-1,3-dimethylpurine-2,6-dione
  参考文献：
  名称：

  Design and synthesis of xanthine analogues as potent and selective PDE5 inhibitors

  摘要：

  We have discovered potent and selective xanthine PDE5 inhibitors. Compound 25 (PDE5 IC50 = 0.6 nM, PDE6/PDE5 = 101) demonstrated similar functional efficacy and PK profile to Sildenafil (PDE5 IC50 = 3.5 nM, PDE6/PDE5 = 7). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00646-7

文献信息

• Xanthine Phosphodiesterase V Inhibitors
  申请人：Chackalamannil Samuel

  公开号：US20080058354A1

  公开（公告）日：2008-03-06

  A xanthine phosphodiesterase V inhibitor having the formula (I), with the variables defined herein, which is especially useful for treating male (erectile) and female sexual dysfunction and other physiological disorders: For example, a representative compound of the invention is:

  一种黄嘌呤磷酸二酯酶V抑制剂，其化学式为（I），其中变量定义如下，该药物特别适用于治疗男性（勃起）和女性性功能障碍以及其他生理疾病。例如，该发明的代表性化合物是：
• Methods of treating benign prostatic hyperplasia or lower urinary tract symptoms by using PDE 5 inhibitors
  申请人：Pickett Cecil

  公开号：US20070004745A1

  公开（公告）日：2007-01-04

  The use of PDE 5 inhibitors in methods for the treatment of benign prostatic hyperplasia or lower urinary tract symptoms and other physiological disorders, as a monotherapy and in combination with other active agents is disclosed. For example, a representative compound useful in the methods of the invention is:
• Methods of using PDE 5 inhibitors for the treatment of congestive heart failure
  申请人：Cuffie-Jackson Cynthia

  公开号：US20070037831A1

  公开（公告）日：2007-02-15

  The uses of PDE V inhibitors in methods for the treatment of congestive heart failure and other physiological disorders, as a monotherapy and in combination with other active agents are disclosed. Such PDE V inhibitors include those having the formula (I), with the variables defined herein: For example, a representative compound useful in the methods of the invention is:
• METHODS OF TREATING BENIGN PROSTATIC HYPERPLASIA OR LOWER URINARY TRACT SYMPTOMS BY USING PDE 5 INHIBITORS
  申请人：Pickett Cecil

  公开号：US20090105282A1

  公开（公告）日：2009-04-23

  The use of PDE 5 inhibitors in methods for the treatment of benign prostatic hyperplasia or lower urinary tract symptoms and other physiological disorders, as a monotherapy and in combination with other active agents is disclosed. For example, a representative compound useful in the methods of the invention is:
• METHODS OF USING PDE V INHIBITORS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE
  申请人：Cuffie-Jackson Cynthia

  公开号：US20090149480A1

  公开（公告）日：2009-06-11

  The uses of PDE V inhibitors in methods for the treatment of congestive heart failure and other physiological disorders, as a monotherapy and in combination with other active agents are disclosed. Such PDE V inhibitors include those having the formula (I), with the variables defined herein: For example, a representative compound useful in the methods of the invention is: