1-[3-(3-benzyl-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)propyl]-4-orthotolylpiperidine-4-carbonitrile | 270077-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[3-(3-benzyl-5-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)propyl]-4-orthotolylpiperidine-4-carbonitrile
• 英文别名: 1-[3-(3-Benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)propyl]-4-(2-methylphenyl)piperidine-4-carbonitrile
• CAS: 270077-68-4
• 化学式: C₂₈H₃₂N₄O₂
• 分子量: 456.588
• InChiKey: BNHLIZUTZOIETE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  67.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• US6232318B1
  申请人：——

  公开号：US6232318B1

  公开（公告）日：2001-05-15
• [EN] PYRIMIDINEDIONE DERIVATIVES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS<br/>[FR] DERIVES DE LA PYRIMIDINEDIONE, ANTAGONISTES DE L'ADRENOCEPTEUR ALPHA 1A
  申请人：MERCK & CO INC

  公开号：WO2000029386A1

  公开（公告）日：2000-05-25

  Novel pyrimidinedione compounds and pharmaceutically acceptable salts thereof are disclosed. The synthesis of these compounds and their use as alpha 1a adrenergic receptor antagonists is also described. One application of these compounds is in the treatment of benign prostatic hyperplasia. These compounds are selective in their ability to relax smooth muscle tissue enriched in the alpha 1a receptor subtype without at the same time inducing hypotension. One such tissue is found surrounding the urethral lining. Therefore, one utility of the instant compounds is to provide acute relief to males suffering from benign prostatic hyperplasia, by permitting less hindered urine flow. Another utility of the instant compounds is provided by combination with a human 5-alpha reductase inhibitory compound, such that both acute and chronic relief from the effects of benign prostatic hyperplasia can be achieved.