| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Source | Plant — Rutaceae Phellodendron amurense Rupr. |
| Molecular weight | |
| Molecular formula | C19H18ClNO4 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Demethyleneberberine chloride is an antioxidant capable of crossing the blood-brain barrier. It exerts its antioxidant effects by targeting mitochondria, activates the AMPK pathway to regulate lipid metabolism, and inhibits inflammation-related pathways including NF-κB and MAPK, supporting research into inflammatory and other diseases[1][2][3][4]. It is supplied as a light yellow to yellow solid (C19H18ClNO4, MW 359.80) at 98.90% purity.
Physical & Chemical Properties
| CAS Number | 16705-03-6 |
|---|---|
| Molecular Formula | C19H18ClNO4 |
| Molecular Weight | 359.80 g/mol |
| Purity | 98.90% |
| Appearance | Solid |
| Color | Light yellow to yellow |
| Structure Classification | Alkaloids Other Alkaloids Phenols Polyphenols |
| SMILES | COC1=C(OC)C2=C[N+]3=C(C4=CC(O)=C(O)C=C4CC3)C=C2C=C1.[Cl-] |
| Signaling Pathway | NF-κB; PI3K/Akt/mTOR; Epigenetics; Immunology/Inflammation; Metabolic Enzyme/Protease; MAPK/ERK Pathway |
| Initial Source | Plant — Rutaceae Phellodendron amurense Rupr. |
| Solubility | In Vitro: DMSO: 1.92 mg/mL (5.34 mM; Requires sonication and warming and adjust pH to 2 with 1 M HCl and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture and light. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). |
| 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 the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 1.92 mg/mL (5.34 mM) | requires sonication and warming and adjust pH to 2 with 1 M HCl and heat to 60°C; 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 and light; avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
In Vitro
In HepG2 cells, Demethyleneberberine (50 μM; 2 h) chloride neutralizes 55% of the ROS induced by H2O2[1]. In ethanol-exposed HepG2 cells, Demethyleneberberine (50 μM; 1 week) chloride reverses the ethanol-induced depolarization of mitochondrial membrane potential[1]. Demethyleneberberine (0-50 μM; 0-24 h) chloride is not toxic to HepG2 cells at concentrations up to 50 μM, cuts cellular lipid buildup by 25% at 10 μM, and turns on the AMPK pathway in a dose- and time-dependent way[2].
In Vivo
In ICR mice, Demethyleneberberine chloride (40 mg/kg, i.p., given 1 hour after each ethanol exposure, 3 exposures in all) shields liver mitochondria from oxidative stress damage and ameliorates acute alcoholic liver injury[1]. In ICR mice, Demethyleneberberine chloride (40 mg/kg per day, i.p., daily for 5 weeks) prevents liver injury and steatosis caused by chronic alcohol intake, by inhibiting oxidative stress pathways and restoring fatty acid oxidation[1]. Demethyleneberberine chloride (20-40 mg/kg, i.p., administered daily for 4 consecutive weeks) alleviates non-alcoholic fatty liver disease (NAFLD) induced by MCD in ICR mice, as well as spontaneous NAFLD in db/db mice[2].
| Animal Model | ICR mice (male, 8 weeks old, 24-26 g, acute alcoholic liver injury model)[1] |
|---|---|
| Dosage | 40 mg/kg |
| Administration | i.p.; 1 hour after each ethanol exposure; 3 exposures total |
| Result | Attenuated ethanol-induced microsteatosis, swelling, and apoptosis in liver cells. Blunted elevated serum ALT levels. Blocked ethanol-induced 33% decline in mitochondrial GSH and GPx activity and 250% elevation in mitochondrial TBARS formation. Alleviated ethanol-mediated mitochondrial swelling. Significantly recovered ethanol-reduced mitochondrial AST activity by 50%. Ameliorated ethanol-induced mitochondrial ultrastructural damages and reduced lipid droplet accumulation. |
| Animal Model | C57BLKS/J-Leprdb/Leprdb (db/db) mice (8-week-old male; spontaneous NAFLD model due to leptin deficiency)[2] |
|---|---|
| Dosage | 20 mg/kg |
| Administration | i.p.; daily; 4 weeks |
| Result | Reduced liver/body index. Decreased hepatic TG and TC levels and improved liver function (reduced serum ALT). Decreased hepatic MDA. Reduced lipid droplet accumulation. Activated AMPK phosphorylation and increased phosphorylation of ACC. Reduced expression of lipogenic genes and inflammatory genes (IL-1β, TNFα). Increased expression of fatty acid β-oxidation genes (ACO, MCAD, CPT1A) and lipid transport genes (MTTP, ApoB). |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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