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Dabigatran ethyl ester hydrochloride
本产品不向个人销售，仅用作科学研究，不用于任何人体实验及非科研性质的动物实验。
Dabigatran ethyl ester hydrochloride图片
CAS NO:211914-50-0
包装与价格：
包装价格(元)
Free Sample (0.1-0.5mg)电议
10mM (in 1mL DMSO)电议
5mg电议
10mg电议
50mg电议
100mg电议
200mg电议
500mg电议

产品介绍
Dabigatran ethyl ester hydrochloride是有效地核糖基二氢烟酰胺脱氢酶(NQO2)抑制剂，IC50值为0.8 μM；也是凝血酶的抑制剂。
Cas No.211914-50-0
别名N-[[2-[[[4-(氨基亚氨甲基)苯基]氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]-N-(2-吡啶基)-BETA-丙氨酸乙酯盐酸盐
Canonical SMILESNC(C1=CC=C(NCC2=NC3=CC(C(N(CCC(OCC)=O)C4=CC=CC=N4)=O)=CC=C3N2C)C=C1)=N.[H]Cl
分子式C27H30ClN7O3
分子量536.03
溶解度DMSO: ≥ 50 mg/mL (93.28 mM); Water: 5 mg/mL (9.33 mM)
储存条件Store at -20°C
General tipsFor obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.
Shipping ConditionEvaluation sample solution : ship with blue ice
All other available size: ship with RT , or blue ice upon request
产品描述

Dabigatran ethyl ester hydrochloride is a potent inhibitor of ribosyldihydronicotinamide dehydrogenase (NQO2) with an IC50 value of 0.8 μM and a thrombin inhibitor. IC50: 0.8 μM (NQO2)[1]

The Ki of dabigatran (ethyl ester hydrochloride) toward NQO2 is 0.9 μM and the IC50 is 0.8 μM. The ethyl ester group of dabigatran (ethyl ester hydrochloride) significantly extends the interaction surface especially with hydrophobic amino acids such as Ile 128 and Met 154. Dabigatran ethyl ester has higher affinity than Dabigatran to both thrombin and NQO2[1]. Dabigatran is a highly selective, reversible, and potent thrombin inhibitor and is orally available as the prodrug, dabigatran etexilate[2].

Dabigatran (Ki=4.5 nM) could bind to human thrombin selectively, and reversibly to realize a strong and long-lasting anticoagulant effect[3].

[1]. Michaelis S, et al. Dabigatran and dabigatran ethyl ester: potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2). J Med Chem. 2012 Apr 26;55(8):3934-44. [2]. Eisert WG, et al. Dabigatran: an oral novel potent reversible nonpeptide inhibitor of thrombin. Arterioscler Thromb Vasc Biol. 2010 Oct;30(10):1885-9. [3]. Hauel NH, et al. Structure-based design of novel potent nonpeptide thrombin inhibitors. J Med Chem. 2002 Apr 25;45(9):1757-66.