| Field | Specification |
|---|---|
| Applications | |
| Molecular weight | |
| Molecular formula | C28H27ClF3N3O5 |
| Purity | |
| Activity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Duocarmycin DM, a DNA minor-groove alkylator, is an antibody-drug conjugate (ADC) toxin. Its anticancer activity relies on a characteristic curved indole structure and a spirocyclopropylcyclohexadienone electrophile[1][2]. It is supplied as an off-white to light yellow solid (C28H27ClF3N3O5, MW 577.98) at 99.15% purity.
Physical & Chemical Properties
| Molecular Formula | C28H27ClF3N3O5 |
|---|---|
| Molecular Weight | 577.98 g/mol |
| Purity | 99.15% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | OC1=C2C(C=CC=C2)=C3C(N(C[C@H]3CCl)C(C4=CC5=C(N4)C=CC(OCCN(C)C)=C5)=O)=C1.OC(C(F)(F)F)=O |
| Signaling Pathway | Cell Cycle/DNA Damage; Antibody-Drug Conjugate/ADC Related |
| Bioactivity Class | Daunorubicins/Doxorubicins |
| Solubility | In Vitro: DMSO: 100 mg/mL (173.02 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | -20°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 | 100 mg/mL (173.02 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 + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (4.33 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 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). |
Protocol 2
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (4.33 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
The Duocarmycins and CC-1065 belong to a class of DNA minor groove, AT-sequence selective, adenine-N3 alkylating agents isolated from Streptomyces sp., and show extremely potent cytotoxicity against cancer cells grown in culture[2]. Duocarmycin DM is cytotoxic to several human cancer cells, with IC50 values of 22 pM (HT-29), 13.8 pM (CL1-5), 3.87 pM (Caski), 15.4 pM (EJ), and 7.31 pM (LS174T)[3].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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