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Referencia número: HY-184697

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Anticancer agent 334

Name: Anticancer agent 334
Brand: MedChemExpress
SKU: HY-184697
Availability: PreOrder

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.

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Fòrmula: C₂₁H₂₀BF₃N₄O₃
Peso molecular:444.21

Almacenamiento:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (273 KB)

Anticancer agent 334 Chemical Structure

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Actividad biológica
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- In Vitro
- In Vivo
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Actividad biológica

Descripciòn

In Vitro

OthersAnti-cancer

Others

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].

Anti-cancer

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.

In Vivo

Anti-cancer

Anticancer agent 334 (compound 3) (500 mg/kg; i.v.; single dose) exhibits superior tumor boron accumulation, prolonged in vivo tumor retention, and more favorable tumor-to-blood and tumor-to-muscle ratios than reference agents in MDA-MB-231 tumor-bearing BALB/c nude mice^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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]
Dosage:

500 mg/kg
Administration:

i.v.; single dose; 0.5, 1, 2, 4h
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).

Related Protocols :

Chemical Information

Peso molecular 444.21
Fòrmula C₂₁H₂₀BF₃N₄O₃
SMILES

O=C(N1CCN(CC2=CC=C(B(O)O)C=C2)CC1)C3=NC4=CC=CC=C4N=C3C(F)(F)F
Envío

Room temperature in continental US; may vary elsewhere.
Almacenamiento

Please store the product under the recommended conditions in the Certificate of Analysis.

Pureza y Documentación

Select Batch:

Pureza: 99.98%

Assay: 99.98%

ee.: 99.98%

Ficha de datos (273 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Instrucciones de manejo (2659 KB)

Referencias

[1]. Hu Z, et al. Design, synthesis and biological evaluation of boronic acid-containing quinoxaline derivatives as potential boron carriers for boron neutron capture therapy. Bioorganic chemistry. 2026 Jun 15;180:110108. [Content Brief]

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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100 mg

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