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Chemical Structure| 330942-05-7 Chemical Structure| 330942-05-7

Structure of Betrixaban
CAS No.: 330942-05-7

Chemical Structure| 330942-05-7

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Betrixaban is a highly potent, selective, and orally efficacious factor Xa inhibitor with IC50 of 1.2 nM (inhibition of Factor 10a).

Synonyms: PRT054021; MK-4448; MLN1021

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Product Citations

Product Citations

Marino-Ocampo, Nory ; Rodriguez, Diego F. ; Guerra Diaz, Daniel ; Zuniga-Nunez, Daniel ; Duarte, Yorley ; Fuentealba, Denis , et al.

Abstract: Direct FXa inhibitors are an important class of bioactive mols. (rivaroxaban, apixaban, edoxaban, and betrixaban) applied for thromboprophylaxis in diverse cardiovascular pathologies. The interaction of active compounds with human serum albumin (HSA), the most abundant protein in blood plasma, is a key research area and provides crucial information about drugs' pharmacokinetics and pharmacodynamic properties. This research focuses on the study of the interactions between HSA and four com. available direct oral FXa inhibitors, applying methodologies including steady-state and time-resolved fluorescence, isothermal titration calorimetry (ITC), and mol. dynamics. The HSA complexation of FXa inhibitors was found to occur via static quenching, and the complex formation in the ground states affects the fluorescence of HSA, with a moderate binding constant of 104 M-1. However, the ITC studies reported significantly different binding constants (103 M-1) compared with the results obtained through spectrophotometric methods. The suspected binding mode is supported by mol. dynamics simulations, where the predominant interactions were hydrogen bonds and hydrophobic interactions (mainly π-π stacking interactions between the Ph ring of FXa inhibitors and the indole moiety of Trp214). Finally, the possible implications of the obtained results regarding pathologies such as hypoalbuminemia are briefly discussed.

Keywords: FXa inhibitors ; human serum albumin ; fluorescence ; isothermal titration calorimetry ; molecular modeling ; direct oral FXa inhibitors ; commercially available FXa inhibitors ; apixaban ; rivaroxaban ; edoxaban ; betrixaban

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Product Details of Betrixaban

CAS No. :330942-05-7
Formula : C23H22ClN5O3
M.W : 451.91
SMILES Code : ClC1=CN=C(NC(C2=CC(OC)=CC=C2NC(C3=CC=C(C(N(C)C)=N)C=C3)=O)=O)C=C1
Synonyms :
PRT054021; MK-4448; MLN1021
MDL No. :MFCD16038040
InChI Key :XHOLNRLADUSQLD-UHFFFAOYSA-N
Pubchem ID :10275777

Safety of Betrixaban

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H373
Precautionary Statements:P260-P264-P270-P301+P312+P330-P314-P501

Isoform Comparison

Biological Activity

Clinical Trial:

NCT Number Conditions Phases Recruitment Completion Date Locations
NCT03728166 Venous Thromboembolism Phase 4 Not yet recruiting February 1, 2021 -
NCT03397888 Hepatic Impairment PHASE1 COMPLETED 2018-01-16 Clinical Pharmacology of Miami... More >>, Hialeah, Florida, 33014, United States Less <<
NCT03613402 - Suspended(Due to slow enrollme... More >>nt.) Less << January 2020 United States, North Carolina ... More >> Durham Durham, North Carolina, United States, 27705 Less <<
NCT00375609 Thromboembolism Phase 2 Completed - Canada, Quebec ... More >> Montreal General Hospital Montreal, Quebec, Canada, H3Y 3B8 Less <<
NCT00375609 - Completed - -
NCT01229254 - Completed - -
NCT03330457 Bleeding Phase 2 Recruiting September 2018 United States, California ... More >> WCCT Global Recruiting Cypress, California, United States, 90630 Contact    714-252-0700 Less <<
NCT01765855 Health Volunteers Phase 1 Completed - -
NCT00742859 - Completed - -
NCT00742859 Atrial Fibrillation Phase 2 Completed - United States, California ... More >> Portola Investigational Site Anaheim, California, United States, 92801 United States, Colorado Portola Investigational Site Colorado Springs, Colorado, United States, 80909 United States, Florida Portola Investigational Site Melbourne, Florida, United States, 32901 Portola Investigational Site Miami, Florida, United States, 33173 Portola Investigational Site Ormond Beach, Florida, United States, 32174 Portola Investigational Site Pensacola, Florida, United States, 32501 Portola Investigational Site Port Charlotte, Florida, United States, 33952 United States, Illinois Portola Investigational Site Aurora, Illinois, United States, 60504 United States, Maine Portola Investigational Site Auburn, Maine, United States, 04210 United States, Maryland Portola Investigational Site Columbia, Maryland, United States, 21044 Portola Investigational Site Salisbury, Maryland, United States, 21804 Portola Investigational Site Towson, Maryland, United States, 21204 United States, Mississippi Portola Investigational Site Tupelo, Mississippi, United States, 38801 United States, Missouri Portola Investigational Site Saint Louis, Missouri, United States, 63110 United States, New York Portola Investigational Site Poughkeepsie, New York, United States, 12601 United States, Oregon Portola Investigational Site Hillsboro, Oregon, United States, 97123 United States, Pennsylvania Portola Investigational Site Wynnewood, Pennsylvania, United States, 19096 United States, South Dakota Portola Investigational Site Rapid City, South Dakota, United States, 57701 United States, Virginia Portola Investigational Site Norfolk, Virginia, United States, 23507 Canada, Quebec Portola Investigational Site Longueuil, Quebec, Canada Portola Investigational Site Montreal, Quebec, Canada Less <<
NCT01765868 Healthy Subjects PHASE1 COMPLETED 2025-10-07 -
NCT03346083 VTE Prophylaxis PHASE1 TERMINATED 2019-10-08 Children's Hospital Los Angele... More >>s, Los Angeles, California, 90027, United States|ACTCA, Axis Clinical Trials, Los Angeles, California, 90036, United States|Children's Healthcare of Atlanta, Atlanta, Georgia, 30322, United States|Tulane Medical Center, New Orleans, Louisiana, 70001, United States|Rainbow Babies & Children's Hospital, Cleveland, Ohio, 44106, United States|Children's Hospital of Tatarstan Republic, Kazan, 420138, Russian Federation|Federal State Institution, Kemerovo, 650002, Russian Federation|Children's City Clinical Hospital, Moscow, 119049, Russian Federation|Pirogov Russian National Research Medical University, Moscow, 125412, Russian Federation|State Budgetary Institution, Nizhny Novgorod, 603136, Russian Federation|Saint Petersburg State Pediatric Medical University, Saint Petersburg, 194100, Russian Federation|Ivano-Frankivsk Regional Children Clinical Hospital, Ivano-Frankivs'k, 76000, Ukraine|Odessa Regional Children Clinical Hospital, Odesa, Ukraine|Sumy Regional Children's Hospital, Sumy, Ukraine|Vinnytsia Regional Children's Clinical Hospital, Department of Anesthesiology and Intensive Care, Vinnitsa, Ukraine|Birmingham Women's and Children's NHS Foundation Trust, Birmingham, B4 6NH, United Kingdom|Addenbrooke's Hospital, Cambridge, CB2 0QQ, United Kingdom|Children's Hospital for Wales, Cardiff, CF14 4XW, United Kingdom|Glenfield Hospital, Leicester, LE3 9QP, United Kingdom|Evelina London Children's Hospital, London, SE1 7EH, United Kingdom Less <<
NCT01229254 Atrial Fibrillation ... More >> Atrial Flutter Less << Phase 2 Completed - -
NCT00999336 Renal Impairment PHASE1 COMPLETED 2010-02-28 APEX GmbH, Munich, Germany
NCT01583218 Venous Thromboembolism (VTE) Phase 3 Completed - -
NCT01583218 - Completed - -
NCT02596100 Healthy PHASE1 COMPLETED 2025-11-15 -

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.21mL

0.44mL

0.22mL

11.06mL

2.21mL

1.11mL

22.13mL

4.43mL

2.21mL

Dissolving Methods
Please choose the appropriate dissolution scheme according to your animal administration guide.For the following dissolution schemes, clear stock solution should be prepared according to in vitro experiments, and then cosolvent should be added in turn:

in order to ensure the reliability of the experimental results, the clarified stock solution can be properly preserved according to the storage conditions; The working fluid for in vivo experiment is recommended to be prepared now and used on the same day;

The percentage shown in front of the following solvent refers to the volume ratio of the solvent in the final solution; If precipitation or precipitation occurs in the preparation process, it can be assisted by heating and/or ultrasound.
Protocol 1

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