N1-((3R,4S)-1-formyl-3-{[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}piperidin-4-yl)-N2-(5-methylthiophen-2-yl)ethanediamide hydrochloride | 912481-18-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N1-((3R,4S)-1-formyl-3-{[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]amino}piperidin-4-yl)-N2-(5-methylthiophen-2-yl)ethanediamide hydrochloride
• 英文别名: N-[(3R,4S)-1-formyl-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidin-4-yl]-N'-(5-methylthiophen-2-yl)oxamide;hydrochloride
• CAS: 912481-18-6
• 化学式: C₂₁H₂₆N₆O₄S₂*ClH
• 分子量: 527.068
• InChiKey: GHDWWFMXFXJSDH-NQQJLSKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  180
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• TRIAMINE DERIVATIVE
  申请人：Mochizuki Akiyoshi

  公开号：US20090239857A1

  公开（公告）日：2009-09-24

  An object of the present invention is to provide a novel compound which has a potent inhibitory effect on FXa and exhibits an excellent antithrombotic effect when orally administered. The present invention provides a compound represented by the following general formula (1): wherein R 1 and R 2 each independently represent a hydrogen atom, a hydroxy group, an alkyl group or an alkoxy group; Q 1 represents a saturated or unsaturated bicyclic or tricyclic fused hydrocarbon group which may be substituted, a saturated or unsaturated bicyclic or tricyclic fused heterocyclic group which may be substituted, or the like; Q 2 represents a single bond, a straight-chained or branched alkylene group having 1 to 6 carbon atoms, a straight-chained or branched alkenylene group having 2 to 6 carbon atoms, or the like; R 3 and R 4 each represent an alkyl group, or the like; m and n each represent an integer from 0 to 3; Q 4 represents an aryl group; and T 0 and T 1 each represent a carbonyl group or the like, and a medicine containing the compound.

  本发明的目的是提供一种新的化合物，该化合物具有对FXa的强烈抑制作用，并在口服时表现出出色的抗血栓作用。本发明提供了下列通式（1）所表示的化合物：其中，R1和R2各自独立地表示氢原子、羟基、烷基或烷氧基；Q1表示可以被取代的饱和或不饱和的双环或三环融合的碳氢化合物基团、可以被取代的饱和或不饱和的双环或三环融合的杂环基团等；Q2表示单键、具有1至6个碳原子的直链或支链烷基、具有2至6个碳原子的直链或支链烯基等；R3和R4各自表示烷基等；m和n各自表示0至3的整数；Q4表示芳基；T0和T1各自表示羰基基团等，以及含有该化合物的药物。
• US8088796B2
  申请人：——

  公开号：US8088796B2

  公开（公告）日：2012-01-03