摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

6,7-dimethoxy-2-(4-morpholin-4-yl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidin-7-yl)-3H-quinazolin-4-one | 441064-73-9

中文名称
——
中文别名
——
英文名称
6,7-dimethoxy-2-(4-morpholin-4-yl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidin-7-yl)-3H-quinazolin-4-one
英文别名
6,7-Dimethoxy-2-(4-morpholino-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)quinazolin-4(3H)-one;6,7-dimethoxy-2-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3H-quinazolin-4-one
6,7-dimethoxy-2-(4-morpholin-4-yl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidin-7-yl)-3H-quinazolin-4-one化学式
CAS
441064-73-9
化学式
C21H24N6O4
mdl
——
分子量
424.459
InChiKey
XUGNZQMRYTVJRN-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.6
  • 重原子数:
    31
  • 可旋转键数:
    4
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.43
  • 拓扑面积:
    101
  • 氢给体数:
    1
  • 氢受体数:
    8

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    7-苄基-4-氯-5,6,7,8-四氢吡啶并[3,4-d]嘧啶 在 palladium on activated charcoal 、 氢气三乙胺 作用下, 以 N-甲基吡咯烷酮甲醇丙醇乙腈 为溶剂, 80.0 ℃ 、275.8 kPa 条件下, 反应 24.0h, 生成 6,7-dimethoxy-2-(4-morpholin-4-yl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidin-7-yl)-3H-quinazolin-4-one
    参考文献:
    名称:
    Process Development and Scale-up of a Selective α1-Adrenoceptor Antagonist
    摘要:
    A synthetic route to a potent and selective a-l-adrenergic receptor antagonist has been developed and demonstrated in a pilot plant. The route has been used in two pilot plant campaigns and has produced RO3203546 in 2.3 and 12.0 kg batch sizes. The first pilot plant campaign focused primarily on the end-game of the process with particular emphasis on the development of a method to isolate the active pharmaceutical ingredient (API). The second pilot plant campaign allowed front-end process improvements to be demonstrated. The reiterative process improvements resulted in an economical process with improved throughput and product quality when compared to the original discovery synthesis.
    DOI:
    10.1021/op0498114
点击查看最新优质反应信息

文献信息

  • 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。
  • 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.
查看更多