| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C39H56ClN3O10S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
DM-CO-(CH2)5-SMe is an anticancer agent derived from an antibody-drug conjugate (ADC) metabolite, showing cytotoxicity to H1703, H1975, COLO704 and Colo720E cells[1]. It is supplied as a white to off-white solid (C39H56ClN3O10S, MW 794.39) at 99.23% purity.
Physical & Chemical Properties
| CAS Number | 2243689-84-9 |
|---|---|
| Molecular Formula | C39H56ClN3O10S |
| Molecular Weight | 794.39 g/mol |
| Purity | 99.23% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | C[C@]12[C@@]([C@@H]([C@]3([H])C[C@]([C@@H](/C=C/C=C(CC4=CC(N(C(C[C@@H]2OC([C@H](C)N(C)C(CCCCCSC)=O)=O)=O)C)=C(C(OC)=C4)Cl)\C)OC)(NC(O3)=O)O)C)([H])O1 |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: ≥ 100 mg/mL (125.88 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, 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.
[1]. Widdison, et al. Preparation of maytansinoid derivatives with self-immolative peptide linkers and their conjugates as antitumor agents. World Intellectual Property Organization. WO2018160539.
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 (125.88 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); 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 | ≥ 2.5 mg/mL (3.15 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. |
Data provided by the manufacturer.
In Vitro
DM-CO-(CH2)5-SMe (0.00008-30 nM; 5 d) suppresses the viability of H1703, H1975 and COLO704 cells, with respective IC50 values of 2.27 pM, 0.893 pM and 3.04 pM[1]. For Colo720E cells, DM-CO-(CH2)5-SMe suppresses viability with an IC50 value of 3 pM[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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