Dabigatran

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-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine. CAS Number: 211914-51-1. Synonyms: BIBR 953. Molecular Formula: C25H25N7O3. Formula Weight: 471.5. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 0.5 mg/ml (@*25°C ). lambdamax: 224, 315 nm. SMILES: CN1C2=CC=C(C(N(CCC(O)=O)C3=NC=CC=C3)=O)C=C2N=C1CNC4=CC=C(C(N)=N)C=C4. 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). InChi Key: YBSJFWOBGCMAKL-UHFFFAOYSA-N.