| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C31H36N4O6 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
PBD dimer-2 is a C8-linked pyrrolobenzodiazepine dimer capable of spanning an extra base pair and cross-linking the 5′-Pu-GA(T/A)TC-Py sequence. It can serve as a payload for antibody-drug conjugates (ADCs) and can be used in cancer research[1][2]. It is supplied as a white to off-white solid (C31H36N4O6, MW 560.64) at 98.01% purity.
Physical & Chemical Properties
| CAS Number | 145325-57-1 |
|---|---|
| Molecular Formula | C31H36N4O6 |
| Molecular Weight | 560.64 g/mol |
| Purity | 98.01% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C1C2=CC(OC)=C(OCCCCCOC3=C(C=C4C(N=C[C@@]5([H])N(CCC5)C4=O)=C3)OC)C=C2N=C[C@@]6([H])N1CCC6 |
| Signaling Pathway | Antibody-Drug Conjugate/ADC Related; Cell Cycle/DNA Damage |
| Solubility | In Vitro: DMSO: 130 mg/mL (231.88 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | -20°C, protect from light, stored under nitrogen. In solvent: -80°C, 6 months; -20°C, 1 month (protect from light, 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.
[3]. Howard PW, et al. Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines. WO2005085259
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 | 130 mg/mL (231.88 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); protect from light, stored under nitrogen; avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
In Vitro
PBD dimer-2 inhibits the growth of leukemia K562 cells, with an IC50 of 0.5 μM. By forming cross-links with DNA, PBD dimer-2 interferes with DNA replication and transcription (XL50=0.07 μM for 50% cross-linked plasmid DNA)[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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