Dabigatran-13C-d3

Dabigatran-13C-d3 is intended for use as an internal standard for the quantification of dabigatran (Cay-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 (Cay-17131). 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).Formal Name: N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-13C-d3-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine. CAS Number: 2967480-55-1. Molecular Formula: C24[13C]H22D3N7O3. Formula Weight: 475.5. Purity: >99% deuterated forms (d1-d3). Formulation: (Request formulation change), A solid. Solubility: Acidic solution: soluble, DMSO: 0.5 mg/ml (@*25°C ). SMILES: OC(CCN(C1=CC=CC=N1)C(C2=CC=C(C(N=C3CNC4=CC=C(C=C4)C(N)=N)=C2)N3[13C]([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)/i1+1D3. InChi Key: YBSJFWOBGCMAKL-KQORAOOSSA-N.