Atecegatran metoxil

For research use only. Not for therapeutic Use.

  • CAT Number: I003139
  • CAS Number: 433937-93-0
  • Molecular Formula: C22H23ClF2N4O5
  • Molecular Weight: 496.89
  • Purity: ≥95%
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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

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