| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Source | Plant — Fagaceae Castanea sativa Mill. |
| Molecular weight | |
| Molecular formula | C27H20O18 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Castalin is a polyphenolic anticancer compound isolated from the bark or nut shells of Castanea sativa Mill. It induces DNA damage by raising ROS levels to activate CHK1, while recruiting 53BP1/RIF1 and activating DNA-PKcs to initiate the NHEJ pathway for DNA repair, and it can be used in research on cervical and breast cancer[1][2].
It has the molecular formula C27H20O18 and a molecular weight of 632.44 g/mol.
Physical & Chemical Properties
| CAS Number | 19086-75-0 |
|---|---|
| Molecular Formula | C27H20O18 |
| Molecular Weight | 632.44 g/mol |
| Structure Classification | Phenols Polyphenols |
| SMILES | OC(C(O1)C2[C@@]([H])(O)C3=C(O)C(O)=C(O)C4=C3C(O2)=O)C(CO)OC(C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C4=C6C1=O)=O |
| Target | Chk1 |
| Signaling Pathway | Immunology/Inflammation; NF-κB; Metabolic Enzyme/Protease; Cell Cycle/DNA Damage; PI3K/Akt/mTOR |
| Initial Source | Plant — Fagaceae Castanea sativa Mill. |
| 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
In HeLa, MCF-7 and MDA-MB-231 cancer cell lines, Castalin (0.5-124 μg/mL; 72 h) causes dose-dependent cytotoxicity, giving respective IC50 values of 25.13 μg/mL, 16.1 μg/mL and 5.2 μg/mL[2]. In HeLa cells, Castalin (62-124 μg/mL; 1-6 h) causes DNA double-strand breaks in a dose- and time-dependent way, detectable as γH2AX foci[2]. In HeLa cells, Castalin (124 μg/mL; 3 h exposure, then elution and 12-24 h of recovery) lowers γH2AX foci over time after elution, which points to the start of DNA repair[2]. In HeLa cells, Castalin (31-124 μg/mL; 3 h) modulates transcriptional programs, downregulating homologous recombination-related genes and upregulating tumor microenvironment-related pathways. Combined with SRA737 (1 μM), it raises CHK1 S345 phosphorylation more strongly than either agent alone[2]. Castalin (31-124 μg/mL; 1-3 h) induces CHK1 kinase phosphorylation at Ser345, triggers reactive oxygen species (ROS) production, markedly increases 53BP1 and RIF1 foci numbers, upregulates DNA-PKcs phosphorylation at S2056, and does not induce RPA32 protein phosphorylation[2]. Castalin (7.7 μg/mL; 6-72 h) together with 1 μM SRA737 acts synergistically to boost CHK1 inhibitor cytotoxicity and to cause mitotic arrest in HeLa, MCF-7 and MDA-MB-231 cells.
Cell Viability Assay[2]
| Cell Line | HeLa, MCF-7 cells |
|---|---|
| Concentration | 7.7, 15.5, 31, 62, 124 μg/mL |
| Incubation Time | 72 h |
| Result | Decreased the viability of tumor cells in a dose-dependent manner. |
Cell Viability Assay[2]
| Cell Line | MDA-MB-231 cells |
|---|---|
| Concentration | 0.5, 1, 2, 4, 8 μg/mL |
| Incubation Time | 72 h |
| Result | Strongly decreased the viability of the triple-negative breast cancer cell line in a dose-dependent manner. |
Immunofluorescence[2]
| Cell Line | HeLa cells |
|---|---|
| Concentration | 62, 84, 124 μg/mL |
| Incubation Time | 1, 3, 6 h |
| Result | Increased the formation of intracellular γH2AX foci in a dose- and time-dependent manner, inducing DNA damage. |
Western Blot Analysis[2]
| Cell Line | HeLa cells |
|---|---|
| Concentration | 31, 62, 124 μg/mL |
| Incubation Time | 3 h |
| Result | Dose-dependently increased the phosphorylation activation of the key checkpoint kinase CHK1 at Ser345. |
Immunofluorescence[2]
| Cell Line | HeLa cells |
|---|---|
| Concentration | 124 μg/mL |
| Incubation Time | 3 h |
| Result | Significantly increased the number of 53BP1 and RIF1 foci involved in the Non-Homologous End Joining (NHEJ) repair pathway, and significantly up-regulated the phosphorylation of DNA-PKcs at S2056. |
Western Blot Analysis[2]
| Cell Line | HeLa cells |
|---|---|
| Concentration | 124 μg/mL |
| Incubation Time | 1, 2, 3 h |
| Result | Failed to induce the phosphorylation of RPA32, a marker of the Homologous Recombination (HR) repair pathway. |
Cell Viability Assay[2]
| Cell Line | HeLa, MCF-7, MDA-MB-231 cells |
|---|---|
| Concentration | 7.7 μg/mL (combined with SRA737: 0.06, 0.125, 0.25, 0.5, 1 μM) |
| Incubation Time | 72 h |
| Result | Significantly enhanced the cytotoxic effect of the CHK1 inhibitor SRA737, synergistically decreasing the survival rate of the three cancer cell lines compared to monotherapy. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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