| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C27H37N3O7S2 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
YHO-13351 is an orally active inhibitor of ABCG2. It modulates ABCG2 function, blocks BCRP-mediated compound efflux, downregulates breast cancer resistance protein expression at the post-transcriptional level, and reverses ABCG2-associated tolerance; it restores the toxicity of SN-38 toward SN-38-resistant cancer cells and sensitizes cancer cells to irinotecan. As a water-soluble prodrug, it is rapidly converted to YHO-13177 in mice, and when combined with IMMU-132 it prolongs the median survival time of mice bearing cancer cell xenografts, while combined with irinotecan it extends survival and inhibits xenograft tumor growth in tumor-bearing mice. It can be used in research on breast cancer, gastric cancer, BCRP-mediated drug-resistant cancers, and cervical cancer[1][2][3]. It is supplied as a yellow to orange solid (C27H37N3O7S2, MW 579.73) at 99.16% purity.
Physical & Chemical Properties
| CAS Number | 1346753-00-1 |
|---|---|
| Molecular Formula | C27H37N3O7S2 |
| Molecular Weight | 579.73 g/mol |
| Purity | 99.16% |
| Appearance | Solid |
| Color | Yellow to orange |
| SMILES | N#C/C(C1=CC=C(OC)C(OC)=C1)=C\C2=CC=C(N3CCC(OC(CN(CC)CC)=O)CC3)S2.O=S(C)(O)=O |
| Signaling Pathway | Membrane Transporter/Ion Channel |
| Solubility | In Vitro: DMSO: 200 mg/mL (344.99 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 200 mg/mL (344.99 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); sealed storage, away from moisture; avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 5 mg/mL (8.62 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 5 mg/mL (8.62 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (50.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Data provided by the manufacturer.
In Vitro
In ABCG2-overexpressing MDA-MB-231-S120 and NCI-N87-S120 cells, YHO-13351 (2 μM; 96 h) potently reverses SN-38 resistance, lowering the IC50 value of SN-38 by more than 90%[1]. ABCG2-mediated Hoechst 33342 efflux in HeLa cells is potently inhibited by YHO-13351 (0.004-0.1 μM)[3]. YHO-13351 (0.1 μg/mL; 96 h) sensitizes HeLa SP cells and non-SP cells alike to SN-38 in vitro[3].
Cell Cytotoxicity Assay[1]
| Cell Line | SN-38-resistant human breast cancer MDA-MB-231-S120 cells, parental MDA-MB-231 cells, SN-38-resistant human gastric cancer NCI-N87-S120 cells, parental NCI-N87 cells |
|---|---|
| Concentration | 2 μM |
| Incubation Time | 96 h |
| Result | Reduced the SN-38 IC50 for NCI-N87-S120 from 211 nmol/L to 6.4 nmol/L, lowering the resistance factor from 49.1 to 1.6. Reduced the SN-38 IC50 for MDA-MB-231-S120 from 248 nmol/L to 16 nmol/L, lowering the resistance factor from 51.7 to 6.7. Caused minimal change to SN-38 IC50 in parental NCI-N87 (from 4.3 nmol/L to 3.9 nmol/L) and MDA-MB-231 (from 4.8 nmol/L to 2.4 nmol/L) cells. |
Cell Cytotoxicity Assay[3]
| Cell Line | sorted human cervical carcinoma HeLa SP and non-SP cells |
|---|---|
| Concentration | 0.1 μg/mL |
| Incubation Time | 96 h |
| Result | Reduced the IC50 of SN-38 for both HeLa non-SP and SP cells. Dropped the IC50 for SP cells by 64%. |
In Vivo
In mice carrying SN-38-resistant NCI-N87-S120 gastric cancer xenografts, combining IMMU-132 with YHO-13351 (0.6 mg; intravenous injection; single dose) raises median survival time by 64% relative to untreated animals[1]. YHO-13351 (100-200 mg/kg; i.p.; once daily on days 1, 5 and 9), given with Irinotecan, prolongs survival time of P388/BCRP-inoculated mice in a dose-dependent manner[2]. The antitumor activity of Irinotecan in HCT116/BCRP xenografts is enhanced dose-dependently when YHO-13351 (30-200 mg/kg; p.o./i.v.; daily on days 1, 5 and 9, or at 0 and 4 hours on days 1, 5 and 9 following Irinotecan) is added[2]. In nude mice bearing HeLa non-SP cell and HeLa SP cell xenografts, YHO-13351 (600-1200 mg/kg; p.o.; administered on days 1, 5 and 9) combined with Irinotecan inhibits tumor growth[3].
| Animal Model | NCr athymic nude (nu/nu) mice (female, 4 weeks old)[1] |
|---|---|
| Dosage | 0.6 mg |
| Administration | i.v.; 3 doses (start of IMMU-132 therapy, 4 hours post-IMMU-132, 24 hours post-IMMU-132) |
| Result | Achieved a median mouse survival of 71.5 days, representing a 64% improvement compared to untreated animals. Resulted in 2 out of 10 mice surviving to the end of the study observation period. |
| Animal Model | CDF1 (female, 6-week-old)[2] |
|---|---|
| Dosage | 100 mg/kg; 200 mg/kg |
| Administration | i.p.; once daily on days 1, 5, and 9 |
| Result | Resulted in a T/C value of 170%. Resulted in a T/C value of 197%. |
| Animal Model | BALB/c nude (male, 6-week-old)[2] |
|---|---|
| Dosage | 50 mg/kg; 100 mg/kg; 200 mg/kg/30 mg/kg |
| Administration | p.o.; once daily on days 1, 5, and 9/i.v.; administered at 0 and 4 hours after irinotecan on days 1, 5, and 9 |
| Result | Resulted in a significant enhancement of irinotecan's antitumor activity. Resulted in an IR value. |
| Animal Model | athymic BALB/c nude (6-week-old, male)[3] |
|---|---|
| Dosage | 600 mg/kg total; 1200 mg/kg total, co-administered with irinotecan |
| Administration | p.o.; administered on days 1, 5, and 9 |
| Result | Produced a tumor growth-inhibitory ratio (IR) of 52.4% at the 600 mg/kg total dose, and 58.1% at the 1200 mg/kg total dose. Maintained the SP cell ratio in non-SP-derived tumors below 0.2% with both doses.\nProduced a tumor growth-inhibitory ratio (IR) of 61.4% at the 600 mg/kg total dose, and 66.8% at the 1200 mg/kg total dose. Dose-dependently inhibited the irinotecan monotherapy-induced increase in SP cell ratio, reducing the ratio to below 0.2% at both doses, matching the SP cell ratio in non-SP-derived tumors. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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