An internal standard for the quantification of dabigatran
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Alternative(s)
35705Dabigatran-13C-d3
Unlabeled Version(s)
17133Dabigatran
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Dabigatran-d3

Item No. 35704

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-(methyl-d3)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoic acid
CAS Number
1246817-44-6
Molecular Formula
C25H22D3N7O3
Formula Weight
474.5
Purity
≥99% deuterated forms (d1-d3)
Formulation
A solid
Solubility(Learn about Variance in Solubility)
DMSO: slightly soluble
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
InChi Code
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)/i1D3
InChi Key
YBSJFWOBGCMAKL-FIBGUPNXSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    500 µg

    $334

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    Product Description

    Dabigatran-d3 is intended for use as an internal standard for the quantification of dabigatran (Item No. 17133) 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 (Item No. 17131).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

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Hauel, N.H., Nar, H., Priepke, H., et al. Structure-based design of novel potent nonpeptide thrombin inhibitors. J. 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 thrombin. Arterioscler. Thromb. Vasc. Biol. 30(10), 1885-1889 (2010).