4-(3,4-difluorophenyl)-3-((4-cyano-4-(2-cyanophenyl)piperidin-1-yl)propylcarbamoyl)-3,4-dihydro-quinazolin-2-one

• 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: 4-(3,4-difluorophenyl)-3-((4-cyano-4-(2-cyanophenyl)piperidin-1-yl)propylcarbamoyl)-3,4-dihydro-quinazolin-2-one
• 英文别名: N-[3-[4-cyano-4-(2-cyanophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-2-oxo-1,4-dihydroquinazoline-3-carboxamide
• 化学式: C₃₁H₂₈F₂N₆O₂
• 分子量: 554.599
• InChiKey: MVCLZMHSIPDWPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(3,4-difluorophenyl)-1-(4-methoxybenzyl)-3-((4-cyano-4-(2-cyanophenyl)piperidin-1-yl)propylcarbamoyl)-3,4-dihydro-quinazolin-2-one 在 三氟乙酸 作用下， 反应 6.0h， 生成 4-(3,4-difluorophenyl)-3-((4-cyano-4-(2-cyanophenyl)piperidin-1-yl)propylcarbamoyl)-3,4-dihydro-quinazolin-2-one
  参考文献：
  名称：

  Polyazanaphthalenone derivatives useful as alpha 1a adrenoceptor antagonists

  摘要：

  披麻二酮类化合物（例如，二氢喹唑啉-2-酮和二氢喹啉-2-酮衍生物）及其药用盐已被披露。这些化合物的合成以及它们作为α1a肾上腺素能受体拮抗剂的用途也有描述。这些化合物的一个应用是用于治疗良性前列腺增生。这些化合物在其能够放松富含α1a受体亚型的平滑肌组织方面具有选择性，同时不会引起低血压。这样的组织包括包围尿道内膜的组织。因此，这些化合物的一个用途是通过减轻尿液流动的障碍，为患有良性前列腺增生的男性提供急性缓解。这些化合物的另一个用途是与人类5α-还原酶抑制剂化合物结合，从而可以实现对良性前列腺增生影响的急性和慢性缓解。

  公开号：

  US06358959B1

文献信息

• US6358959B1
  申请人：——

  公开号：US6358959B1

  公开（公告）日：2002-03-19
• [EN] POLYAZANAPHTHALENONE DERIVATIVES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS<br/>[FR] DERIVES DE POLYAZANAPHTHALENONE EN TANT QU'ANTAGONISTES DU RECEPTEUR ADRENERGIQUE ALPHA 1A
  申请人：MERCK & CO INC

  公开号：WO2000043374A1

  公开（公告）日：2000-07-27

  Dihydro-polyazanaphthalen-2-one compounds (e.g., dihydroquinazolin-2-one and dihydropteridin-2-one derivatives) 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.
• Polyazanaphthalenone derivatives useful as alpha 1a adrenoceptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US06358959B1

  公开（公告）日：2002-03-19

  Dihydro-polyazanaphthalen-2-one compounds (e.g., dihydroquinazolin-2-one and dihydropteridin-2-one derivatives) 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.

  披麻二酮类化合物（例如，二氢喹唑啉-2-酮和二氢喹啉-2-酮衍生物）及其药用盐已被披露。这些化合物的合成以及它们作为α1a肾上腺素能受体拮抗剂的用途也有描述。这些化合物的一个应用是用于治疗良性前列腺增生。这些化合物在其能够放松富含α1a受体亚型的平滑肌组织方面具有选择性，同时不会引起低血压。这样的组织包括包围尿道内膜的组织。因此，这些化合物的一个用途是通过减轻尿液流动的障碍，为患有良性前列腺增生的男性提供急性缓解。这些化合物的另一个用途是与人类5α-还原酶抑制剂化合物结合，从而可以实现对良性前列腺增生影响的急性和慢性缓解。