| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
YHO-13351 is a prodrug that targets the breast cancer resistance protein (BCRP/ABCG2), an ATP-binding cassette (ABC) transporter that plays a critical role in multidrug resistance. BCRP actively effluxes a wide range of chemotherapeutic agents and other xenobiotics from cells, reducing intracellular drug concentrations and limiting therapeutic efficacy. YHO-13351 is converted to its active form YHO-13177, which is a potent and specific inhibitor of BCRP. By inhibiting BCRP, YHO-13351 reverses BCRP-mediated drug resistance and restores the sensitivity of cancer cells to chemotherapeutic agents that are BCRP substrates. The compound's water-soluble prodrug form improves its pharmacokinetic properties.
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| ln Vitro |
YHO-13351 demonstrates in vitro activity as a BCRP inhibitor through its active metabolite YHO-13177. YHO-13177 is a potent and specific inhibitor of BCRP. The prodrug YHO-13351 can specifically reverse BCRP/ABCG2-mediated drug resistance in vitro. The compound's activity is typically assessed by measuring the reversal of drug resistance in BCRP-overexpressing cell lines. In these assays, cells are treated with a chemotherapeutic agent (e.g., mitoxantrone, topotecan) that is a BCRP substrate, in the presence or absence of YHO-13351. The compound's ability to restore drug sensitivity is measured by assessing cell viability or intracellular drug accumulation. Comprehensive in vitro activity data are available from research publications.
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| ln Vivo |
In vivo, YHO-13351 is an orally available prodrug that can specifically reverse BCRP/ABCG2-mediated drug resistance. By inhibiting BCRP, the compound restores the sensitivity of tumors to chemotherapeutic agents that are BCRP substrates. The prodrug form YHO-13351 is converted to the active inhibitor YHO-13177 in vivo. The compound's oral bioavailability and water solubility make it suitable for convenient dosing in research settings. Comprehensive in vivo efficacy studies have been reported in research publications, demonstrating the compound's ability to reverse drug resistance in animal models of cancer.
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| Enzyme Assay |
In vitro assays for YHO-13351 involve measuring the reversal of BCRP-mediated drug resistance in cell lines that overexpress BCRP. Cells are treated with a fluorescent BCRP substrate (e.g., mitoxantrone, Hoechst 33342) or a chemotherapeutic agent that is a BCRP substrate, in the presence or absence of varying concentrations of YHO-13351. Intracellular accumulation of the fluorescent substrate or drug is measured by flow cytometry or fluorescence microscopy. Cell viability is assessed using MTT or CellTiter-Glo assays to measure the reversal of drug resistance. IC50 values for reversal of resistance are calculated from dose-response curves. Each concentration is typically tested in duplicate or triplicate with appropriate positive controls (known BCRP inhibitors) and vehicle controls.
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| Cell Assay |
In vitro cellular assays for YHO-13351 are performed using BCRP-overexpressing cancer cell lines, such as MCF-7/MX or HCT-116/BCRP cells. Cells are treated with varying concentrations of the compound in the presence or absence of a chemotherapeutic agent that is a BCRP substrate (e.g., mitoxantrone, topotecan, SN-38). Cell viability and proliferation are measured using MTT or CellTiter-Glo assays. Intracellular drug accumulation is measured by flow cytometry or LC-MS/MS. BCRP efflux activity is assessed using fluorescent substrates. Cytotoxicity is assessed in parallel to ensure that observed effects are not due to cell death. IC50 values for reversal of drug resistance are calculated from dose-response curves.
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| Animal Protocol |
In vivo animal studies for YHO-13351 are conducted using mouse xenograft models of BCRP-overexpressing tumors. Immunodeficient mice are implanted subcutaneously with cancer cells that overexpress BCRP. Once tumors are established, animals are randomized into treatment groups and administered YHO-13351 via oral gavage, either alone or in combination with a chemotherapeutic agent that is a BCRP substrate. Tumor growth is measured using calipers. Intracellular drug accumulation in tumor tissues is measured by LC-MS/MS. Pharmacokinetic studies assess drug concentrations in plasma and tumors. Animals are monitored for clinical signs and body weight. Efficacy is expressed as tumor growth inhibition and reversal of drug resistance compared to vehicle-treated controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of YHO-13351 have been characterized in preclinical studies. The compound has a molecular formula of C27H37N3O7S2 and a molecular weight of 579.73 g/mol. YHO-13351 is a water-soluble prodrug of YHO-13177. It is orally available. The prodrug is converted to the active inhibitor YHO-13177 in vivo. Comprehensive pharmacokinetic parameters including half-life, volume of distribution, clearance, and oral bioavailability have been characterized in animal models. The compound's water solubility and oral bioavailability support its use in preclinical studies of drug resistance reversal.
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| Toxicity/Toxicokinetics |
YHO-13351 is intended for laboratory research use only and has not undergone comprehensive clinical toxicology testing. As a BCRP inhibitor that reverses drug resistance, the compound would be expected to have effects on drug distribution and elimination. Standard in vitro cytotoxicity assays in cell lines are typically performed alongside efficacy studies to rule out nonspecific toxicity. In vivo, animals are monitored for signs of toxicity including body weight changes, behavioral abnormalities, and clinical observations. Comprehensive toxicological characterization including genotoxicity and repeated-dose toxicity studies has been conducted as part of preclinical development. The compound is not approved for human use and is strictly intended for research purposes.
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| References | |
| Additional Infomation |
YHO-13351 is the water-soluble, orally available prodrug of YHO-13177, a potent and specific inhibitor of BCRP/ABCG2. It specifically reverses BCRP/ABCG2-mediated drug resistance in vitro and in vivo. The compound has a molecular formula of C27H37N3O7S2 and a molecular weight of 579.73 g/mol. YHO-13351 has not entered clinical trials and is available for research purposes only.
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| Molecular Formula |
C27H37N3O7S2
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| Molecular Weight |
579.7286
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| Exact Mass |
579.207
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| CAS # |
1346753-00-1
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| Related CAS # |
YHO-13351 free base;912288-64-3
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| PubChem CID |
53344604
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| Appearance |
Yellow to orange solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
39
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| Complexity |
819
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCN(CC)CC(=O)OC1CCN(CC1)C2=CC=C(S2)/C=C(\C#N)/C3=CC(=C(C=C3)OC)OC.CS(=O)(=O)O
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| InChi Key |
XOEIHKAPFXUACW-QMGGKDRNSA-N
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| InChi Code |
InChI=1S/C26H33N3O4S.CH4O3S/c1-5-28(6-2)18-26(30)33-21-11-13-29(14-12-21)25-10-8-22(34-25)15-20(17-27)19-7-9-23(31-3)24(16-19)32-4;1-5(2,3)4/h7-10,15-16,21H,5-6,11-14,18H2,1-4H3;1H3,(H,2,3,4)/b20-15+;
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| Chemical Name |
[1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] 2-(diethylamino)acetate;methanesulfonic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~30 mg/mL (~51.75 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7249 mL | 8.6247 mL | 17.2494 mL | |
| 5 mM | 0.3450 mL | 1.7249 mL | 3.4499 mL | |
| 10 mM | 0.1725 mL | 0.8625 mL | 1.7249 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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