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| Targets |
The primary molecular targets of crocetin include the STK11/LKB1-mediated AMPK pathway, which is involved in autophagy induction and amyloid-beta clearance. Crocetin activates this pathway to promote cellular clearance mechanisms. Additionally, crocetin exerts its effects through multiple biochemical pathways related to its antioxidant and anti-inflammatory activities. It modulates various signaling cascades involved in cell survival, apoptosis, and inflammation. The compound has been reported to possess anticancer properties by affecting cell growth and inducing apoptosis in cancer cells. Its neuroprotective effects are attributed to its ability to reduce oxidative stress and inflammation in neuronal cells. The precise molecular targets may vary depending on the cell type and experimental context, but the AMPK pathway is a key mediator of its biological effects.
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| ln Vitro |
Crocetin demonstrates potent antioxidant activity in various in vitro systems, effectively scavenging free radicals and reducing oxidative stress. It has been shown to possess anti-inflammatory properties by inhibiting the production of pro-inflammatory mediators. In cancer cell lines, crocetin exhibits cytotoxic activity and inhibits cell proliferation. It promotes the clearance of amyloid-beta by inducing autophagy through the STK11/LKB1-mediated AMPK pathway. Crocetin has been shown to have cardioprotective effects by reducing oxidative damage and improving mitochondrial function. Its neuroprotective activity is evident in models of neurodegenerative diseases where it reduces neuronal cell death and inflammation. These in vitro activities are concentration-dependent and have been observed at micromolar concentrations.
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| ln Vivo |
In vivo, crocetin has demonstrated significant pharmacological effects in animal models. It exhibits neuroprotective activity by reducing amyloid-beta accumulation and improving cognitive function in models of Alzheimer's disease. Crocetin has cardioprotective effects, reducing myocardial damage and improving cardiac function in models of ischemia-reperfusion injury. It also shows hepatoprotective activity by reducing liver damage and improving liver function in models of hepatic injury. The compound has antidepressant-like effects in behavioral models and demonstrates anticancer activity by inhibiting tumor growth in xenograft models. Its anti-inflammatory effects have been observed in various models of inflammation, where it reduces the production of inflammatory cytokines and improves tissue function.
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| Enzyme Assay |
Crocetin, as a small molecule, does not typically undergo classical enzyme/receptor binding assays. However, its interaction with the AMPK pathway can be studied in cell-free systems. A typical protocol for assessing AMPK activation involves preparing cell lysates and measuring AMPK phosphorylation using Western blot analysis with phospho-specific antibodies. For antioxidant activity, cell-free assays such as the DPPH radical scavenging assay or the ABTS radical cation decolorization assay can be used. Crocetin is dissolved in DMSO or ethanol and diluted in assay buffer. The reaction mixture is incubated at room temperature for a specified period, and the absorbance is measured at the appropriate wavelength. The antioxidant activity is expressed as the half-maximal inhibitory concentration (IC50) or as a percentage of radical scavenging.
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| Cell Assay |
For in vitro cellular experiments, cells (e.g., neuronal cells, cancer cell lines, or hepatocytes) are cultured in appropriate media and treated with crocetin at various concentrations (typically 1-100 microM). After treatment, cells are harvested and analyzed for various endpoints. For autophagy studies, cells are treated with crocetin for 24-48 hours, and autophagy markers such as LC3-II and p62 are assessed by Western blot. For neuroprotection studies, cells are pretreated with crocetin before exposure to neurotoxic insults, and cell viability is measured using MTT or LDH assays. For anti-inflammatory studies, cells are stimulated with LPS or other inflammatory agents in the presence of crocetin, and cytokine levels are measured by ELISA. The duration of treatment varies depending on the experimental design but typically ranges from 6 to 72 hours.
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| Animal Protocol |
In vivo animal experiments with crocetin typically involve oral administration or intraperitoneal injection in rodents. A common dosing regimen is 10-50 mg/kg body weight, administered daily for 1-4 weeks. For neuroprotection studies, crocetin is administered to animal models of Alzheimer's disease or other neurodegenerative conditions, and cognitive function is assessed using behavioral tests such as the Morris water maze. For cardioprotection studies, crocetin is administered before or after induction of myocardial ischemia, and cardiac function is assessed by echocardiography or histological analysis. For anticancer studies, crocetin is administered to tumor-bearing mice, and tumor growth is monitored by caliper measurements or bioluminescence imaging. Blood and tissue samples are collected for biochemical analysis.
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| ADME/Pharmacokinetics |
Crocetin is a natural product with a molecular weight of 342.43 g/mol. It is a lipophilic compound with moderate oral bioavailability. Following oral administration, crocetin is absorbed and distributed to various tissues, including the brain, where it exerts its neuroprotective effects. The compound is metabolized in the liver and excreted in the bile and urine. Its pharmacokinetic profile is characterized by a moderate half-life and dose-dependent exposure. Crocetin has been shown to cross the blood-brain barrier, which is essential for its neuroprotective activity. Its bioavailability can be enhanced by formulation strategies such as co-administration with piperine or the use of nanoparticle-based delivery systems.
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| Toxicity/Toxicokinetics |
Crocetin is generally considered safe and well-tolerated at pharmacological doses. In animal studies, no significant toxicity has been reported at doses up to 100 mg/kg. The compound has been used in traditional medicine for centuries and is recognized as safe for consumption. However, high doses may cause gastrointestinal discomfort or other mild adverse effects. In vitro studies have shown that crocetin has low cytotoxicity in normal cells, while exhibiting selective toxicity towards cancer cells. Its safety profile is supported by its long history of use in traditional medicine and its presence in saffron, a commonly consumed spice. Further toxicological studies are needed to establish its full safety profile for therapeutic use.
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| References |
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| Additional Infomation |
Reports have indicated that saffron contains β-saffron acid, and relevant data is available for reference.
Crocetin (beta-crocetin) is a naturally occurring carotenoid compound derived from saffron (Crocus sativus). It is the monomethyl ester of crocetin and is a major bioactive component of saffron. The compound has a molecular formula of C21H26O4 and a molecular weight of 342.43 g/mol. Crocetin has been extensively studied for its potential therapeutic applications in neurodegenerative diseases, cardiovascular diseases, cancer, and metabolic disorders. Its mechanism of action involves the activation of the AMPK pathway, leading to autophagy induction and clearance of pathogenic proteins. Crocetin is available as a research compound and is not approved for clinical use. Its diverse pharmacological activities make it a promising lead compound for drug development. |
| Molecular Formula |
C21H26O4
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| Molecular Weight |
342.4287
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| Exact Mass |
342.183
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| CAS # |
25368-09-6
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| PubChem CID |
88311768
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| Appearance |
Pink to red solid powder
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| LogP |
5.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
25
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| Complexity |
681
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C(/C(/C([H])([H])[H])=C(\[H])/C(/[H])=C(\[H])/C(/C([H])([H])[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\C([H])([H])[H])/C(/[H])=C(\[H])/C(/[H])=C(/C(=O)O[H])\C([H])([H])[H])=O
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| InChi Key |
DGGQUKOLHQXDLV-QTNXRKSWSA-N
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| InChi Code |
InChI=1S/C21H26O4/c1-16(12-8-14-18(3)20(22)23)10-6-7-11-17(2)13-9-15-19(4)21(24)25-5/h6-15H,1-5H3,(H,22,23)/b7-6+,12-8+,13-9+,16-10+,17-11+,18-14+,19-15+
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| Chemical Name |
(2E,4E,6E,8E,10E,12E,14E)-16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~31.25 mg/mL (~91.26 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9203 mL | 14.6015 mL | 29.2030 mL | |
| 5 mM | 0.5841 mL | 2.9203 mL | 5.8406 mL | |
| 10 mM | 0.2920 mL | 1.4602 mL | 2.9203 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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