2-[2-(Dimethylamino)ethyl]-9-methoxy-1H-benzo[a]pyrimido [5,6,1-jk]carbazole-1,3(2H)-dione hydrochloride | 185556-06-3

• 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-[2-(Dimethylamino)ethyl]-9-methoxy-1H-benzo[a]pyrimido [5,6,1-jk]carbazole-1,3(2H)-dione hydrochloride
• 英文别名: 18-[2-(Dimethylamino)ethyl]-7-methoxy-1,18-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-2(11),3(8),4,6,9,12(20),13,15-octaene-17,19-dione;hydrochloride
• CAS: 185556-06-3
• 化学式: C₂₃H₂₁N₃O₃*ClH
• 分子量: 423.899
• InChiKey: PNWNTXRGVQXRDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP0831094A1

  公开（公告）日：1998-03-25

  Novel fused polycyclic heterocycle derivatives having excellent antitumor effects and a process for producing the same. A compound represented by the following general formula (I) or pharmacologically acceptable salts thereof: wherein the ring A represents an optionally substituted monocyclic aromatic ring or a dicyclic fused ring in which at least one of the rings is an aromatic ring; the ring B represents pyrrole, 4H-1,4-oxazine, 4H-1,4-thiazine or 4(1H)-pyridone; the ring C represents an optionally substituted, monocyclic or dicyclic fused aromatic ring; and Y represents a group represented by the formula -e-f (wherein e represents a lower alkylene; and f represents amidino, guanidino or amino optionally substituted by optionally hydroxylated or optionally lower-alkylaminated lower alkyl;    provided that the cases where the rings A and B are both optionally substituted monocyclic aromatic rings are excluded. Which has an excellent antitumor activity.

  具有优异抗肿瘤效果的新型融合多环杂环衍生物及其生产工艺。 由以下通式(I)代表的化合物或其药理学上可接受的盐： 其中，环 A 代表任选取代的单环芳香环或二环融合环，其中至少有一个环是芳香环； 环 B 代表吡咯、4H-1,4-恶嗪、4H-1,4-噻嗪或 4(1H)-吡啶酮；环 C 代表任选取代的单环或双环融合芳环；以及 Y 代表由式-e-f 所代表的基团（其中 e 代表低级亚烷基；f 代表脒基、胍基或任选被羟基化或任选被低级烷基酰胺化的低级烷基取代的氨基）； 但不包括环 A 和环 B 均为任选取代的单环芳香环的情况。 具有极佳的抗肿瘤活性。