Anticancer agent 334
Anticancer agent 334 is a quinoxaline derivative containing a trifluoromethyl-substituted boronic acid, with low cytotoxicity and enhanced boron uptake activity. Anticancer agent 334 increases boron accumulation in MDA-MB-231 and HepG2 cells, and achieves higher tumor boron enrichment in tumor-bearing mouse models in vivo. Anticancer agent 334 can serve as a boron carrier and be used in studies related to boron neutron capture therapy for triple-negative breast cancer and hepatocellular carcinoma.
For research use only. We do not sell to patients.
- Formula: C21H20BF3N4O3
- Molecular Weight:444.21
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Anticancer agent 334 (compound 3) (molecular docking simulation) binds noncovalently to VEGFR2 (PDB:3VHE) with a minimum binding energy of −10.1 kcal/mol, and forms hydrogen bonds with GLU885, ASP1046, ASP814, π–π stacking with HIS1026, plus multiple hydrophobic interactions with surrounding hydrophobic residues[1].
Anticancer agent 334 exhibits extremely low intrinsic cytotoxicity, with an IC50 of > 500 μM against MDA-MB-231 cells and an IC50 of 391.1 μM against HepG2 cells; the boron accumulation level reaches 375.21 ng/107 cells in MDA-MB-231 cells and 193.24 ng/107 cells in HepG2 cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:BALB/c nude mice (SPF grade, 5-8 weeks old, equal numbers of males and females, MDA-MB-231 cells subcutaneously inoculated)[1]
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Dosage:500 mg/kg
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Administration:i.v.; single dose; 0.5, 1, 2, 4h
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Result:Reached tumor-to-blood ratios of 5.03, 5.36, 4.08, and 10.31 at 0.5, 1, 2, and 4 h, respectively.
Reached tumor-to-muscle ratios of 10.26, 15.54, 6.79, and 13.62 at 0.5, 1, 2, and 4 h, respectively.
Retained 81.6%, 45.0%, and 28.4% of its initial tumor boron level at 1, 2, and 4 h, respectively (normalized to 0.5 h level).
Chemical Information
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Molecular Weight 444.21
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Formula C21H20BF3N4O3
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SMILES
O=C(N1CCN(CC2=CC=C(B(O)O)C=C2)CC1)C3=NC4=CC=CC=C4N=C3C(F)(F)F
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Anticancer agent 334 Related Classifications
HY-184697 Related Classifications
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