| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
(S)-(+)-1,2-Propanediol targets enzymes such as Isocitrate dehydrogenase [NADP] and Sigma factor SigB regulation protein RsbQ in Bacillus subtilis. As a small molecule, it can interact with various metabolic enzymes. It is used as a chiral building block in organic synthesis, and its primary role is as a solvent and chemical intermediate rather than as a pharmacological agent.
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|---|---|
| ln Vitro |
(S)-(+)-1,2-Propanediol exhibits in vitro activity as a solvent and chemical intermediate. It is used in drug preparations as a diluent. Its activity in biological systems is related to its role as a metabolite. It is an endogenous compound produced by Lactococcus lactis. Its chemical properties, including its chirality, make it valuable for the synthesis of enantiomerically pure drugs.
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| ln Vivo |
(S)-(+)-1,2-Propanediol is not typically used as a therapeutic agent in vivo. Its primary applications are as a solvent, diluent, and chiral building block in pharmaceutical synthesis. As an endogenous metabolite, it may be involved in various physiological processes.
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| Enzyme Assay |
In vitro assays for (S)-(+)-1,2-Propanediol are primarily chemical rather than biological. Its role as a chiral building block is assessed by its use in asymmetric synthesis reactions. Its purity and enantiomeric excess are measured using analytical techniques such as HPLC or polarimetry. Its effects on enzymes can be studied in biochemical assays.
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| Cell Assay |
Cellular assays for (S)-(+)-1,2-Propanediol are limited, as its primary use is as a solvent and chemical intermediate. Its effects on cells can be studied in the context of metabolism, as it is an endogenous metabolite. Cytotoxicity assays can be performed to assess its effects on cell viability.
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| Animal Protocol |
In vivo animal experiments with (S)-(+)-1,2-Propanediol are primarily conducted for metabolic and toxicological studies. The compound is administered to animals, and its levels in plasma, urine, and tissues are measured. Its metabolism and excretion are studied to assess its safety as a pharmaceutical excipient.
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| ADME/Pharmacokinetics |
(S)-(+)-1,2-Propanediol is a small, polar molecule with a molecular weight of 76.09 and a molecular formula of C3H8O2. It is a liquid at room temperature and is miscible with water and organic solvents. Its pharmacokinetic properties are typical for small alcohols; it is rapidly absorbed and metabolized. The compound is typically stored at room temperature.
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| Toxicity/Toxicokinetics |
(S)-(+)-1,2-Propanediol is considered to have low toxicity and is used as a pharmaceutical excipient. However, comprehensive toxicological evaluations have not been extensively published. The compound is intended for research and pharmaceutical use and is not approved for human therapeutic use as a drug. Standard laboratory safety precautions should be followed when handling this compound.
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| Additional Infomation |
(S)-Propane-1,2-diol is a propane-1,2-diol. It is a metabolite in both humans and E. coli. It is the enantiomer of (R)-propane-1,2-diol. (S)-Propane-1,2-diol is a clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. (S)-Propane-1,2-diol is a metabolite of E. coli (strains K12 and MG1655). There are reports and data regarding the use of (S)-propane-1,2-diol in humans.
(S)-(+)-1,2-Propanediol ((2S)-propane-1,2-diol) is an endogenously produced metabolite. It is used as an organic solvent and diluent in drug preparations. Its enantiomerically pure form allows for precise control over stereochemistry in the synthesis of chiral drugs. It is also produced by Lactococcus lactis and has a molecular weight of 76.09. |
| Molecular Formula |
C₃H₈O₂
|
|---|---|
| Molecular Weight |
76.09
|
| Exact Mass |
76.052
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| CAS # |
4254-15-3
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| PubChem CID |
439846
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
184.8±8.0 °C at 760 mmHg
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| Melting Point |
-59ºC
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| Flash Point |
107.2±0.0 °C
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| Vapour Pressure |
0.2±0.8 mmHg at 25°C
|
| Index of Refraction |
1.430
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| LogP |
-1.34
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
5
|
| Complexity |
20.9
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O([H])[C@@]([H])(C([H])([H])[H])C([H])([H])O[H]
|
| InChi Key |
DNIAPMSPPWPWGF-VKHMYHEASA-N
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| InChi Code |
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
|
| Chemical Name |
(2S)-propane-1,2-diol
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| Synonyms |
(S)(+)1,2Propanediol; (S) (+) 1,2 Propanediol
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : ~100 mg/mL (~1314.23 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (32.86 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (32.86 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (32.86 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 13.1423 mL | 65.7117 mL | 131.4233 mL | |
| 5 mM | 2.6285 mL | 13.1423 mL | 26.2847 mL | |
| 10 mM | 1.3142 mL | 6.5712 mL | 13.1423 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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