N'-hydroxy-2-[4-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(1-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylisoindole-5-carboximidamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N'-hydroxy-2-[4-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(1-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonylisoindole-5-carboximidamide
• 化学式: C₂₇H₃₄N₈O₆S₂
• 分子量: 630.7
• InChiKey: DNOZSWIMYXKCKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  212
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• Novel sulfonyl derivatives
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：US20040082611A1

  公开（公告）日：2004-04-29

  Described in the present invention are a sulfonyl derivative represented by the following formula (I): Q 1 -Q 2 -T 1 -Q 3 -SO 2 -Q A (I) [wherein Q 1 represents a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group, 5- or 6-membered heterocyclic group, dicyclic fused ring or tricyclic fused ring group which may have a substituent; Q 2 represents a single bond, an oxygen atom, a sulfur atom, a linear or branched C 1-6 alkylene group or the like; Q A represents an arylalkenyl group which may have a substituent or a heteroarylalkenyl group which may have a substituent; and T 1 represents a carbonyl group or the like] and a medicament comprising the same. The compound has strong FXa inhibitory action, provides prompt, sufficient and long-lasting anti-thrombus effects when orally administered, and has low side effects and is therefore useful as an excellent anticoagulant.

  本发明描述了一种由以下式(I)表示的磺酰基衍生物： Q1-Q2-T1-Q3-SO2-QA(I) [其中，Q1表示饱和或不饱和的5-或6-环烃基、5-或6-杂环基、二环融合环或三环融合环基，可能具有取代基；Q2表示单键、氧原子、硫原子、线性或支链的C1-6烷基等；QA表示可能具有取代基的芳基烯基或杂芳基烯基；T1表示羰基基团或类似物]，以及包含该化合物的药物。该化合物具有强烈的FXa抑制作用，口服后提供快速、充分和持久的抗血栓效果，并且具有低副作用，因此可用作优秀的抗凝剂。