6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-3H-quinazolin-4-one | 441064-70-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-3H-quinazolin-4-one
• 英文别名: 6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3H-quinazolin-4-one
• CAS: 441064-70-6
• 化学式: C₂₂H₂₂N₄O₃S
• 分子量: 422.508
• InChiKey: YRYYAAIREZRJQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2,3,4-四氢-9H-吡啶[3,4-B]并吲哚 、 2-氯-6,7-二甲氧基-3H-喹唑啉-4-酮 生成 6,7-dimethoxy-2-(7-methylsulfanyl-1,3,4,9-tetrahydro-β-carbolin-2-yl)-3H-quinazolin-4-one
  参考文献：
  名称：

  Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists

  摘要：

  这项发明涉及一般为α-1A/B肾上腺素受体拮抗剂的化合物，其由式I表示： 1 其中Z为—C(O)—或—S(O) 2 —，X为碳或氮，Y为碳，X-Y一起被视为环A的两个相邻原子，所述环是一个由每个环中的一个到两个异原子（选自N、O或S）的五到六个原子的融合芳香环；其他取代基如规范中所定义；或其单体异构体、消旋或非消旋异构体混合物，或其药学上可接受的盐或溶剂化合物。该发明还涉及含有这种化合物的药物组合物，以及它们作为治疗剂的使用方法和制备方法。

  公开号：

  US20030069230A1

文献信息

• QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1363899B1

  公开（公告）日：2005-05-11
• US6900220B2
  申请人：——

  公开号：US6900220B2

  公开（公告）日：2005-05-31
• US7091200B2
  申请人：——

  公开号：US7091200B2

  公开（公告）日：2006-08-15
• [EN] QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS<br/>[FR] DERIVES QUINAZOLONE ANTAGONISTES DE RECEPTEUR ALPHA 1A/B ADRENERGIQUE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002053558A1

  公开（公告）日：2002-07-11

  This invention relates to compounds which are generally alpha-1A/B adrenoceptor antagonists and which are represented by formula (I) wherein Z is -C(O)- or -S(O)2-, X is carbon or nitrogen, Y is carbon, and X-Y considered together are two adjoining atoms of the ring A, said ring being a fused aromatise ring of five to six atoms per ring optionally incorporating one to two heteroatoms per ring; chosen from N, O, or S; and the other substituents are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their preparation and their use as therapeutic agents.
• Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists
  申请人：——

  公开号：US20030069230A1

  公开（公告）日：2003-04-10

  This invention relates to compounds which are generally alpha-1A/B adrenoceptor antagonists and which are represented by Formula I: 1 wherein Z is —C(O)— or —S(O) 2 —, X is carbon or nitrogen, Y is carbon, and X-Y considered together are two adjoining atoms of the ring A, said ring being a fused aromatic ring of five to six atoms per ring optionally incorporating one to two heteroatoms per ring, chosen from N, O, or S; and the other substituents are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their use as therapeutic agents, and methods of preparation thereof.

  这项发明涉及一般为α-1A/B肾上腺素受体拮抗剂的化合物，其由式I表示： 1 其中Z为—C(O)—或—S(O) 2 —，X为碳或氮，Y为碳，X-Y一起被视为环A的两个相邻原子，所述环是一个由每个环中的一个到两个异原子（选自N、O或S）的五到六个原子的融合芳香环；其他取代基如规范中所定义；或其单体异构体、消旋或非消旋异构体混合物，或其药学上可接受的盐或溶剂化合物。该发明还涉及含有这种化合物的药物组合物，以及它们作为治疗剂的使用方法和制备方法。