For research use only. Not for therapeutic Use.
Atecegatran Metoxil(CAT: I003139) is an orally bioavailable prodrug of atecegatran, a potent and selective thrombin inhibitor. It is widely used in cardiovascular and hematological research to explore anticoagulation mechanisms and thrombin-mediated pathways. By inhibiting thrombin activity, Atecegatran Metoxil provides valuable insights into thrombosis, coagulation disorders, and potential therapeutic strategies for preventing blood clots. Its stability and bioavailability make it ideal for in vivo studies, supporting advanced research into the development of anticoagulant therapies and the study of thrombin-related physiological and pathological processes.
Catalog Number | I003139 |
CAS Number | 433937-93-0 |
Synonyms | AZD0837; AZD-0837; AZD 0837; Atecegatran metoxil; Atecegatran fexenetil.;(S)-1-((R)-2-(3-chloro-5-(difluoromethoxy)phenyl)-2-hydroxyacetyl)-N-(4-(N-methoxycarbamimidoyl)benzyl)azetidine-2-carboxamide |
Molecular Formula | C22H23ClF2N4O5 |
Purity | ≥95% |
Target | Thrombin |
Solubility | Soluble in DMSO, not in water |
Storage | 0 - 4 °C for short term or -20 °C for long term |
IUPAC Name | (2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]methyl]azetidine-2-carboxamide |
InChI | InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1 |
InChIKey | XSNMGLZVFNDDPW-ZWKOTPCHSA-N |
SMILES | O=C([C@H]1N(C([C@@H](C2=CC(OC(F)F)=CC(Cl)=C2)O)=O)CC1)NCC3=CC=C(C(NOC)=N)C=C3 |