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製品番号: 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.

商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。

分子式: C₂₁H₂₀BF₃N₄O₃
分子量:444.21

保管条件:

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

Data Sheet (273 KB)

Anticancer agent 334 構造式

容量

価格（税別）

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数量

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Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

生物活性

製品説明

体外実験

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.

体内実験

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 :

化学情報

分子量 444.21
分子式 C₂₁H₂₀BF₃N₄O₃
SMILES

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

Room temperature in continental US; may vary elsewhere.
保管条件

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

純度とドキュメンテーション

バッチを選択:

純度: 99.98%

Assay: 99.98%

ee.: 99.98%

データシート (273 KB)
COA (2659 KB)
元素分析報告書 (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)
取扱説明書 (2659 KB)

参考文献

[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]

Calculators

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100 mg

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