| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C43H67Cl2NO12 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
AlbA-DCA is a conjugate formed by attaching Albiziabioside A (AlbA) to a dichloroacetate acid (DCA) subunit. It can markedly increase intracellular ROS and alleviate lactic acid accumulation in the tumor microenvironment (TME), and selectively kills cancer cells by inducing apoptosis[1]. It has the molecular formula C43H67Cl2NO12 and a molecular weight of 860.90 g/mol.
Physical & Chemical Properties
| CAS Number | 2413716-79-5 |
|---|---|
| Molecular Formula | C43H67Cl2NO12 |
| Molecular Weight | 860.90 g/mol |
| SMILES | CC1(C)[C@@H](O[C@H]2[C@H](NC(C(Cl)Cl)=O)[C@H]([C@@H]([C@@H](CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O2)O)O)CC[C@]4(C)[C@@]5([H])CC=C6[C@]7([H])CC(C)(C)CC[C@@](C(O)=O)7CC[C@](C)6[C@@](C)5CC[C@@]14[H] |
| Signaling Pathway | Immunology/Inflammation; NF-κB; Metabolic Enzyme/Protease; Apoptosis |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| 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 your institution's chemical hygiene plan.
In Vitro
AlbA-DCA is cytotoxic, with IC50 values of 0.43 μM (MCF-7 cells), 3.87 μM (HCT116 cells), 3.78 μM (A375 cells), 1.31 μM (4T1 cells), 38.20 μM (HBMEC cells), and 53.14 μM (LO2 cells)[1]. Treatment with AlbA-DCA (2 μM; 24 hours; MCF-7 cells) induces apoptotic cell death in MCF-7 cells[1]. In MCF-7 cells, AlbA-DCA (2 μM) treatment could significantly up-regulate cytochrome c expression and down-regulate expression of the antiapoptotic protein Bcl-2. AlbA-DCA also significantly enhances caspase-9 expression[1].
Apoptosis Analysis[1]
| Cell Line | MCF-7 cells |
|---|---|
| Concentration | 2 μM |
| Incubation Time | 24 hours |
| Result | Induced apoptosis of MCF-7 cells. |
Western Blot Analysis[1]
- Cell Line: MCF-7 cells
- Concentration: 2 μM
- Incubation Time:
- Result: Could significantly up-regulate the expression of cytochrome c and down-regulate the expression of antiapoptotic protein Bcl-2. Significantly enhanced the expression of caspase-9.
In Vivo
In nude mice, AlbA-DCA (2 mg/kg; subcutaneous injection; every 2 days; for 2 weeks) shows antitumor efficacy and almost completely suppresses tumor progression, with no mouse deaths and no significant changes in body weight observed. AlbA-DCA causes no obvious liver or kidney toxicity, and no major abnormality is found in heart, liver, spleen, lung, and kidney[1].
| Animal Model | Nude mice bearing MCF-7 tumors[1] |
|---|---|
| Dosage | 2 mg/kg |
| Administration | Subcutaneous injection; every 2 days; for 2 weeks |
| Result | Displayed the best antitumor efficacy and almost completely suppressed tumor progression. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Need this compound in a format that drops straight into your assay? We can tailor formulation, chemistry, and documentation so your results stay consistent across runs and re-orders.
- Format options: solid or pre-dissolved solution (choose solvent), target concentration, aliquots, light/moisture-protected packaging
- Chemistry options: free base/acid vs salt forms, hydrate/solvate preference, stereoisomer control (single enantiomer or racemate), close analogs
- Add-on labels & handles: D/¹³C/¹⁵N isotopes (LC-MS/internal standards), azide/alkyne or other functional handles for conjugation
- QC & documentation: standard COA or enhanced analytical pack (HPLC/LC-MS/NMR), chiral purity, residual solvents, water content (KF), method-specific specs
- Scale & continuity: mg to gram scale, bulk pricing, lot reservation, repeat-order continuity
To quote quickly, tell us: compound name + CAS/structure (SMILES or mol file), intended assay context, solvent preference, salt/stereochemistry requirements, purity/QC level, and the amount (mg–g).
Can’t find the compound you’re looking for?
Send the CAS or structure and your specs. We can help source it, suggest close equivalents, or discuss custom synthesis with the right QC documentation (RUO).
