Valerosidate
Valerosidate is an OX2R antagonist. Valerosidate increases expression of tumor suppressor proteins p53 and PTEN, selectively reduces colon cancer cell viability, and suppresses colon cancer cell migration. Valerosidate can be used for the research of colon cancer and insomnia.
For research use only. We do not sell to patients.
- CAS No.: 29505-31-5
- Formula: C21H34O11
- Molecular Weight:462.49
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Storage:
-20°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
All Orexin Receptor (OX Receptor) Isoforms
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Biological Activity
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OX2R |
Valerosidate (48 h) selectively inhibits cell viability in human colon cancer HCT116 cells with an IC50 of 22.2 μM and a selectivity index of 3.21[1].
Valerosidate (5.41-10.81 μM; 24 h) inhibits migration of human colon cancer cells[1].
Valerosidate (5.41-10.81 μM; 48 h) increases the expression of tumor suppressor proteins p53 (by 26.1%) and PTEN in human colon cancer HCT116 cells[1].
Valerosidate binds to OX2R with a favourable binding free energy of -6.01 kcal/mol, with key stabilizing interactions involving residues GLN134, PHE227, ASN324, and VAL325[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:HCT116 cells
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Concentration:5.41; 10.81; 21.62 μM
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Incubation Time:24 h
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Result:Significantly suppressed migration of HCT116 cells, with an inhibitory rate of 74.6%.
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Cell Line:human colon cancer HCT116 cells
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Concentration:5.41; 10.81; 21.62 μM
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Incubation Time:48 h
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Result:Increased p53 expression by 26.1% relative to the untreated control.
Increased PTEN expression by 34.6% relative to the untreated control.
Chemical Information
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CAS No. 29505-31-5
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Appearance Solid
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Molecular Weight 462.49
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Formula C21H34O11
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Color White to off-white
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SMILES
O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OCC2=CO[C@@H](OC(CC(C)C)=O)[C@@]3([H])[C@]2([H])C[C@H](O)[C@]3(O)C
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Structure Classification
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Initial Source
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
-20°C, protect from light
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)
Purity & Documentation
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Data Sheet (275 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
[1]. Yang H, et al. Discovery of a heat-generated compound DHD derived from Patrinia villosa water extract with inhibitory effects on colon cancer cells viability and migration. Front Chem. 2023 Jun 2;11:1195883. [Content Brief]
[2]. Shenoy AG, et al. Discovery of natural orexin 2 receptor antagonists from Valeriana species: A potential approach for insomnia treatment. Chronobiol Int. 2025;42(8):1107-1120. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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