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Dabigatran-d3 Sale

(Synonyms: BIBR 953-d3; BIBR 953ZW-d3) 目录号 : GC49682

An internal standard for the quantification of dabigatran

Dabigatran-d3 Chemical Structure

Cas No.:1246817-44-6

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500 µg
¥4,283.00
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Sample solution is provided at 25 µL, 10mM.

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产品描述

Dabigatran-d3 is intended for use as an internal standard for the quantification of dabigatran by GC- or LC-MS. Dabigatran is an inhibitor of thrombin (Ki = 0.0045 µM) and an active metabolite of the thrombin inhibitor prodrug dabigatran etexilate .1,2 It also inhibits trypsin (Ki = 0.0503 µM) but is selective for thrombin and trypsin over plasmin, Factor Xa, activated protein C, and tissue plasminogen activator (tPA; Kis = 1.695, 3.76, 20.93, and 45.36 µM, respectively).1

1.Hauel, N.H., Nar, H., Priepke, H., et al.Structure-based design of novel potent nonpeptide thrombin inhibitorsJ. Med. Chem.45(9)1757-1766(2002) 2.Eisert, W.G., Hauel, N., Stangier, J., et al.Dabigatran: An oral novel potent reversible nonpeptide inhibitor of thrombinArterioscler. Thromb. Vasc. Biol.30(10)1885-1889(2010)

Chemical Properties

Cas No. 1246817-44-6 SDF Download SDF
别名 BIBR 953-d3; BIBR 953ZW-d3
Canonical SMILES OC(CCN(C1=CC=CC=N1)C(C2=CC=C(C(N=C3CNC4=CC=C(C=C4)C(N)=N)=C2)N3C([2H])([2H])[2H])=O)=O
分子式 C25H22D3N7O3 分子量 474.5
溶解度 DMSO : 100 mg/mL (210.73 mM; ultrasonic and warming and heat to 80°C); 0.1 M HCL : 12.5 mg/mL (26.34 mM; Need ultrasonic) 储存条件 -20°C
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储备液的保存方式和期限:-80°C 储存时,请在 6 个月内使用,-20°C 储存时,请在 1 个月内使用。
为了提高溶解度,请将管子加热至37℃,然后在超声波浴中震荡一段时间。
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溶解性数据

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1 mg 5 mg 10 mg
1 mM 2.1075 mL 10.5374 mL 21.0748 mL
5 mM 0.4215 mL 2.1075 mL 4.215 mL
10 mM 0.2107 mL 1.0537 mL 2.1075 mL
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Research Update

Comparison of calibrated dilute thrombin time and aPTT tests with LC-MS/MS for the therapeutic monitoring of patients treated with dabigatran etexilate

Thromb Haemost 2013 Sep;110(3):543-9.PMID:23783171DOI:10.1160/TH13-03-0202

Ways to monitor dabigatran etexilate (DE) therapy would be useful in certain situations. Functional assays such as aPTT or Hemoclot® Thrombin Inhibitor (HTI) have been proposed to evaluate dabigatran concentrations, but previous findings are based on in vitro studies and results must be confirmed in clinical samples. The aim of this study was to compare aPTT and HTI measurements with liquid chromatography-tandem mass spectrometry (LC-MS/MS) measurements of dabigatran in plasma samples from DE treated patients. Seventy-one plasma samples were included. aPTT was performed using STA-CKPrest® and SynthASil®. HTI was performed according to instructions from the manufacturer. The LC-MS/MS method utilised Dabigatran-d3 as internal standard. The plasma concentration range was 0 to 645 ng/ml as measured by LC-MS/MS. Overall, the HTI and LC-MS/MS analyses correlated well (r²=0.97). The Bland-Altman analysis showed a mean difference of 9 ng/ml (SD: 20 ng/ml). However, the HTI performed poorly at concentrations <50 ng/ml. LC-MS/MS was sensitive (limit of quantification 1.1 ng/ml) and specific for dabigatran. The aPTT methods did not correlate well with plasma concentrations measured by LC-MS/MS (r² = 0.59 with SynthASil® and 0.50 with STA-CKPrest®). In conclusion, the poor sensitivity, the important inter-individual variability, and the poor correlation with LC-MS/MS preclude the use of aPTT to estimate dabigatran concentrations. Due to its small inter-individual variability and good agreement with LC-MS/MS measurements, we recommend the use of HTI assays to rather accurately estimate concentrations of dabigatran >50 ng/ml. Quantification of lower dabigatran levels in DE-treated patients requires the "reference" LC-MS/MS method.