| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
rac-1,2-Distaroyl-3-chloropropanediol does not have a defined biological target as a therapeutic agent. It is a chlorinated fatty acid ester used as an analytical reference standard for the detection of 3-MCPD esters in food products. The compound is not intended to exert pharmacological effects. Its utility lies in its use as a reference standard for food safety testing.
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|---|---|
| ln Vitro |
Specific in vitro activity data for rac-1,2-Distaroyl-3-chloropropanediol as a pharmacological agent are not documented in the literature. It is used as an analytical reference standard rather than as a drug substance. The compound is not characterized for direct biological activities such as enzyme inhibition or receptor modulation. Its potential toxicity is related to its hydrolysis to 3-MCPD, a known food contaminant.
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| ln Vivo |
rac-1,2-Distaroyl-3-chloropropanediol is not used for in vivo pharmacological activity assessment as a drug compound. Its primary application is as an analytical reference standard for food safety testing. The compound is not intended to be administered to animals for pharmacological studies. Its use is limited to analytical chemistry applications.
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| Enzyme Assay |
rac-1,2-Distaroyl-3-chloropropanediol is not typically used in enzyme/receptor binding assays. Its primary application is as an analytical reference standard for the detection of 3-MCPD esters in food samples. When used in research, it serves as a standard for the quantification of 3-MCPD esters using GC-MS or other analytical methods. Standard analytical protocols are employed for its use.
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| Cell Assay |
rac-1,2-Distaroyl-3-chloropropanediol is not used in cell-based assays as a test compound. Its primary application is as an analytical reference standard for food safety testing. The compound is not characterized for direct cellular effects. Its potential toxicity is related to its hydrolysis to 3-MCPD.
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| Animal Protocol |
rac-1,2-Distaroyl-3-chloropropanediol is not used in animal studies as a pharmacological agent. Its primary application is as an analytical reference standard for food safety testing. The compound is not intended to be administered to animals for efficacy evaluations. Its use is limited to analytical chemistry applications.
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| ADME/Pharmacokinetics |
rac-1,2-Distaroyl-3-chloropropanediol has a molecular weight of 643.48 g/mol and a molecular formula of C₃₉H₇₅ClO₄. It is a derivative of 3-chloro-1,2-propanediol (3-MCPD) esterified with two stearic acid molecules. The compound is used as a reference standard for the analysis of 3-MCPD esters in food samples. It is typically stored under standard laboratory conditions.
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| Toxicity/Toxicokinetics |
rac-1,2-Distaroyl-3-chloropropanediol is intended for research and analytical use only and is not approved for human therapeutic applications. As a reference standard, comprehensive toxicological data are not relevant for its intended use. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| Additional Infomation |
rac-1,2-Distaroyl-3-chloropropanediol (3-Chloro-1,2-propanediol Distearate) (CAS#: 72468-92-9) has a molecular formula of C₃₉H₇₅ClO₄ and a molecular weight of 643.48 g/mol. It is a derivative of 3-MCPD used as a reference standard for the analysis of 3-MCPD esters in food samples. This compound is not a drug and is an analytical reference standard.
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| Molecular Formula |
C39H75CLO4
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|---|---|
| Molecular Weight |
643.46
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| Exact Mass |
642.535
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| CAS # |
72468-92-9
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| PubChem CID |
254746
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| Appearance |
Typically exists as solid at room temperature
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| Density |
0.931g/cm3
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| Boiling Point |
665.4ºC at 760mmHg
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| Flash Point |
125.8ºC
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| Index of Refraction |
1.465
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| LogP |
13.203
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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 |
38
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| Heavy Atom Count |
44
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| Complexity |
597
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCCCC
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| InChi Key |
YLTQZUQMHKFAHD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C39H75ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
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| Chemical Name |
(3-chloro-2-octadecanoyloxypropyl) octadecanoate
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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 |
| 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 | 1.5541 mL | 7.7705 mL | 15.5410 mL | |
| 5 mM | 0.3108 mL | 1.5541 mL | 3.1082 mL | |
| 10 mM | 0.1554 mL | 0.7770 mL | 1.5541 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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