Atecegatran D6

Product Name Atecegatran D6
CAT No. CS-CX-00140
CAS No. 917904-13-3 unlabeled
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C(N(CC1)[C@@H]1C(NC([2H])([2H])C2=C([2H])C([2H])=C(C(N)=N)C([2H])=C2[2H])=O)[C@@H](C3=CC(OC(F)F)=CC(Cl)=C3)O
Canonical Smiles C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C3=CC(=CC(=C3)Cl)OC(F)F)O
InchIKey QTUUCFVBSVJGOH-ZYMOGRSISA-N
Inchl InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16?,17-/m1/s1
IUPAC N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide
Controlled No
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Atecegatran D6 is a stable isotope labeled version of atecagtran, a potent and selective thrombin inhibitor that has been studied for its potential use in preventing blood clots in patients with various medical conditions. Thrombin is a crucial enzyme in the blood clotting cascade, and its inhibition is an effective strategy for preventing blood clots, which can lead to serious cardiovascular events such as stroke and heart attack. Atecegatran D6 is typically used in research and development settings to investigate the pharmacokinetics, pharmacodynamics, and metabolism of atecagtran in biological systems. This is achieved by incorporating the stable isotope deuterium into the molecular structure of the drug, allowing for accurate tracking and measurement of its movement and transformation in vivo. Chemically, atecagtran D6 is a small molecule inhibitor that binds tightly and specifically to the active site of thrombin, preventing its ability to catalyze the formation of fibrin, a critical component of blood clots. The drug has shown promising results in preclinical studies, demonstrating a favorable safety profile and high potency in inhibiting thrombin activity. Overall, atecagtran D6 represents a valuable tool for researchers seeking to better understand the mechanisms of thrombin inhibition and develop more effective strategies for preventing blood clots in patients with thrombotic disorders.

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