| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C25H23N3O7 |
| Purity | |
| Activity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Duocarmycin SA is an orally active antitumor antibiotic with an IC50 of 10 pM[1]. It is described as an extremely potent cytotoxic agent capable of inducing sequence-selective alkylation of duplex DNA, and it demonstrates synergistic cytotoxicity against glioblastoma multiforme (GBM) cells treated with proton radiation in vitro[2]. It is supplied as an off-white to light yellow solid (C25H23N3O7, MW 477.47) at 99.89% purity.
Physical & Chemical Properties
| CAS Number | 130288-24-3 |
|---|---|
| Molecular Formula | C25H23N3O7 |
| Molecular Weight | 477.47 g/mol |
| Purity | 99.89% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | O=C(C(N1)=CC([C@@]23[C@@](C3)([H])CN(C(C(N4)=CC5=C4C(OC)=C(OC)C(OC)=C5)=O)C2=C6)=C1C6=O)OC |
| Signaling Pathway | Anti-infection; Antibody-Drug Conjugate/ADC Related; Cell Cycle/DNA Damage; Apoptosis |
| Bioactivity Class | Duocarmycins |
| Solubility | In Vitro: DMSO: ≥ 50 mg/mL (104.72 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) * "≥" means soluble, but saturation unknown. |
| Storage | -20°C, stored under nitrogen. In solvent: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). |
| 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 | ≥ 50 mg/mL (104.72 mM) | 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); stored under nitrogen; 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 | ≥ 2.5 mg/mL (5.24 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 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% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (5.24 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Duocarmycin SA (DSA) (0.1-1 nM; 72 hours) reduces U-138 cell viability in a dose-dependent manner and triggers apoptotic and necrotic pathways[2]. At 0.1 nM for 72 hours, Duocarmycin SA makes human glioma cells more sensitive to proton irradiation[2].
Cell Viability Assay[1]
| Cell Line | U-138 cells |
|---|---|
| Concentration | 0.1, 0.5, 1 nM |
| Incubation Time | 72 hours |
| Result | Produced a significant concentration-dependent decrease in cell viability, with 65% cell survival observed at 0.1 nM, and plateauing at a minimum of 25% cell survival at 0.5 nM, with no increase in cytotoxicity observed at higher doses. The IC50 of Duocarmycin SA for U-138 MG cells is 0.4 nM. Demonstrated strong cytotoxicity, with an IC50 of 0.0018 nM (1.8 pM). |
Apoptosis Analysis[1]
| Cell Line | U-138 cells |
|---|---|
| Concentration | 0.001, 0.1 nM |
| Incubation Time | 3 or 14 days |
| Result | Increased radio sensitivity of U-138 GBM cells by the activation of apoptotic and necrotic pathways. Greatly reduced survival fractions at different proton radiation doses (1-8 Gy). |
In Vivo
In murine lymphocytic leukemia P388 transplanted into CDF1 mice, Duocarmycin SA (0.143 mg/kg, i.p., single dose) displays antitumor activity and a significant 30% increase in life span[3].
| Animal Model | Murine lymphocytic leukemia P388 transplanted in CDF1 mice [3] |
|---|---|
| Dosage | 0.143 mg/kg |
| Administration | Intraperitoneal injection (i.p.), single dose |
| Result | Showed a significant 30% increase in life span. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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