| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Antioxidant pathways; inflammatory mediators; neuroprotective targets; cancer-related targets.
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|---|---|
| ln Vitro |
Crocetine dimethyl ester exhibits antioxidant activity by scavenging free radicals and upregulating antioxidant enzymes. It has anti-inflammatory effects by inhibiting the production of pro-inflammatory mediators. The compound shows neuroprotective effects by protecting neurons from oxidative stress and excitotoxicity. Anticancer activity has been reported in various cancer cell lines.
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| ln Vivo |
In vivo studies of crocetin and its esters have demonstrated antioxidant, anti-inflammatory, neuroprotective, and anticancer effects in animal models. Crocetin dimethyl ester is expected to have similar activities. The compound is orally active and can cross the blood-brain barrier.
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| Enzyme Assay |
Antioxidant activity is assessed by DPPH, ABTS, or FRAP assays. Anti-inflammatory activity is measured by inhibition of NO production, cytokine levels, or COX-2/iNOS expression. Neuroprotective effects are assessed in neuronal cell models. Anticancer activity is assessed by cell viability assays using cancer cell lines.
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| Cell Assay |
Macrophage cell lines (e.g., RAW 264.7) are stimulated with LPS and treated with the compound, and inflammatory mediators are measured. Neuronal cell lines are treated with oxidative stress inducers and the compound's protective effects are assessed. Cancer cell lines are used for anticancer studies.
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| Animal Protocol |
In vivo studies use rodent models. For anti-inflammatory studies, carrageenan-induced paw edema models are used. For neuroprotective studies, models of cerebral ischemia or neurodegeneration are used. For anticancer studies, tumor xenograft models are used.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for crocetin dimethyl ester are limited. Crocetin and its esters are known to have moderate oral bioavailability and can cross the blood-brain barrier.
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| Toxicity/Toxicokinetics |
Specific toxicity data for crocetin dimethyl ester are limited. Crocetin and saffron are generally considered to have low toxicity. Standard laboratory safety practices should be followed.
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| References |
[1]. Kanakis CD, et al, Crocetin, dimethylcrocetin, and safranal bind human serum albumin: stability and antioxidative properties. J Agric Food Chem. 2007 Feb 7;55(3):970-7.
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| Additional Infomation |
γ-Saffron acid is a diterpenoid compound. Dimethyl saffron acid has been reported to be present in saffron, and relevant data are available for reference.
Crocetine dimethyl ester is a carotenoid compound and a derivative of crocetin, the major active constituent of saffron. It is used as a reference standard for quality control of saffron and saffron-containing products. It is for research use only. |
| Molecular Formula |
C22H28O4
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|---|---|
| Molecular Weight |
356.46
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| Exact Mass |
356.199
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| CAS # |
5892-54-6
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| PubChem CID |
5316132
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| Appearance |
Orange to red solid powder
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| LogP |
4.786
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
26
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| Complexity |
636
|
| Defined Atom Stereocenter Count |
0
|
| 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)OC([H])([H])[H])\C([H])([H])[H])=O
|
| InChi Key |
OXNHRKGZZFWUQZ-QORFUXSJSA-N
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| InChi Code |
InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11+,18-12+,19-15+,20-16+
|
| Chemical Name |
dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.8054 mL | 14.0268 mL | 28.0536 mL | |
| 5 mM | 0.5611 mL | 2.8054 mL | 5.6107 mL | |
| 10 mM | 0.2805 mL | 1.4027 mL | 2.8054 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.
Products are for research use only; We do not sell to patients
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