[3-(3-methyl-4-oxo-4,5-dihydro-2H-pyrazolo[4,3-c]quinolin-6-yloxy)-propyl]-carbamic acid tert-butyl ester | 848815-18-9

• 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: [3-(3-methyl-4-oxo-4,5-dihydro-2H-pyrazolo[4,3-c]quinolin-6-yloxy)-propyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[3-[(3-methyl-4-oxo-2,5-dihydropyrazolo[4,3-c]quinolin-6-yl)oxy]propyl]carbamate
• CAS: 848815-18-9
• 化学式: C₁₉H₂₄N₄O₄
• 分子量: 372.424
• InChiKey: KJRHHGVGQAHEMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [3-(3-methyl-4-oxo-4,5-dihydro-2H-pyrazolo[4,3-c]quinolin-6-yloxy)-propyl]-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 6-(3-amino-propoxy)-3-methyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-4-one
  参考文献：
  名称：

  [EN] PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS
  [FR] INHIBITEURS DE CHK-1

  摘要：

  公开号：

  WO2005028474A3

文献信息

• Chk-1 inhibitors
  申请人：Boyle George Robert

  公开号：US20050245563A1

  公开（公告）日：2005-11-03

  Disclosed are novel inhibitors of Chk-1 and methods of using the same for therapy.

  本发明涉及一种新的Chk-1抑制剂及其治疗方法。
• O-SUBSTITUTED HYDROXYARYL DERIVATIVES
  申请人：Institute of Medicinal Molecular Design, Inc.

  公开号：EP1512397A1

  公开（公告）日：2005-03-09

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in a main chain is 2 to 5 (said connecting group may be substituted), "A" represents an acyl group which may be substituted, (provided that unsubstituted acetyl group and unsubstituted acryloyl group are excluded,) or a C1 to C6 alkyl group which may be substituted, or A may bind to connecting group X to form a cyclic structure which may be substituted, "E" represents an aryl group which may be substituted or a heteroaryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula -O-A wherein A has the same meaning as that defined above and the group represented by formula -X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula -O-A wherein A has the same meaning as that defined above and the group represented by formula -X-E wherein each of X and E has the same meaning as that defined above.

  一种对 NF-κB 活化具有抑制活性的药物，其活性成分包括选自由下通式 (I) 所代表的化合物、其药理学上可接受的盐、其水合物和其溶液组成的组中的一种物质： 其中 X 代表主链中原子数为 2 至 5 的连接基团（所述连接基团可被取代）、 A "代表可被取代的酰基（但不包括未取代的乙酰基和未取代的丙烯酰基）或可被取代的 C1 至 C6 烷基，或 A 可与连接基团 X 结合形成可被取代的环状结构、 E "代表可被取代的芳基或可被取代的杂芳基、 环 Z 代表除式 -O-A 所代表的基团（其中 A 的含义与上式所定义的相同）和式 -X-E 所代表的基团（其中 X 和 E 的含义与上式所定义的相同）之外还可具有一个或多个取代基的炔族化合物，或除式 -O-A 所代表的基团（其中 A 的含义与上式所定义的相同）和式 -X-E 所代表的基团（其中 X 和 E 的含义与上式所定义的相同）之外还可具有一个或多个取代基的杂芳族化合物。
• [EN] CHK-1 INHIBITORS<br/>[FR] INHIBITEURS DE CHK-1
  申请人：MILLENNIUM PHARM INC

  公开号：WO2005028474A2

  公开（公告）日：2005-03-31

  The application discloses inhibitors of Chk-1of the following general formula (I).