2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione;2,2,2-trifluoroacetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-[(4-tert-butylphenyl)methyl]-4-ethyl-8-nitro-11-(2-pyridin-4-ylethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione;2,2,2-trifluoroacetic acid
• 化学式: C33H36F3N5O6
• 分子量: 655.7
• InChiKey: LXVYTMMJNGXNJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.57
• 重原子数：
  47
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  140
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• Triaza- and tetraaza-anthracenedione derivates, their preparation and their use as pharmaceuticals
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1471066A1

  公开（公告）日：2004-10-27

  The present invention relates to triaza- and tetraaza-anthracenedione derivatives of the formula I, in which A, B and R1 to R5 have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds. They are useful in the treatment of various disease states including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency. They upregulate the expression of the enzyme endothelial nitric oxide (NO) synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式I的三氮杂和四氮杂蒽醌衍生物，其中A、B和R1至R5具有权利要求中所示的含义。式I的化合物是有价值的药理活性化合物。它们在治疗各种疾病状态中具有用处，包括心血管疾病，如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心脏功能不全。它们上调内皮一氧化氮（NO）合酶的表达，并可应用于需要增加该酶的表达或增加NO水平或恢复降低的NO水平的情况。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的药物制剂。
• Triaza- and tetraaza-anthracenedione derivatives, their preparation and their use as pharmaceuticals
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040248900A1

  公开（公告）日：2004-12-09

  The present invention relates to triaza- and tetraaza-anthracenedione derivatives of the formula I, 1 wherein A, B and R 1 to R 5 are as defined herein. The compounds of formula I are valuable pharmacologically active compounds. They are useful in the treatment of various disease states including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency. They upregulate the expression of the enzyme endothelial nitric oxide (NO) synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式 I 的三氮杂和四氮杂蒽二酮衍生物、 1 其中 A、B 和 R 1 至 R 5 如本文所定义。式 I 的化合物是具有药理活性的宝贵化合物。它们可用于治疗各种疾病，包括心血管疾病，如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心功能不全。它们能上调内皮一氧化氮（NO）合成酶的表达，可用于需要增加所述酶的表达或提高 NO 水平或使降低的 NO 水平恢复正常的情况。本发明还涉及式 I 化合物的制备工艺、其用途（尤其是作为药物的活性成分）以及包含它们的药物制剂。
• TRIAZA- AND TETRAAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1641795A1

  公开（公告）日：2006-04-05
• US7132536B2
  申请人：——

  公开号：US7132536B2

  公开（公告）日：2006-11-07
• [EN] Triaza- and tetraaza-anthracenedione derivatives, their preparation and their use as pharmaceuticals<br/>[FR] DERIVES DE TRIAZA- ET TETRAAZA-ANTHRACENEDIONE, LEUR PREPARATION ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2004094425A1

  公开（公告）日：2004-11-04

  The present invention relates to triaza- and tetraaza-anthracenedione derivatives of the formula (I), in which A, B and R1 to R5 have the meanings indicated in the claims. The compounds of formula (I) are valuable pharmacologically active compounds. They are useful in the treatment of various disease states including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency. They upregulate the expression of the enzyme endothelial nitric oxide (NO) synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention furthermore relates to processes for the preparation of compounds of the formula (I), their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.