| Targets |
(S)-(-)-Butane-1,2,4-triol does not target a specific biological receptor or enzyme. Its purpose is strictly chemical: it provides a chiral scaffold for constructing complex drug molecules. It is not a pharmacologically active agent itself. In biochemical experiments, it may be used as a solvent or excipient, but it has no intrinsic biological activity that would define a mechanism of action in a therapeutic context.
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| ln Vitro |
This compound exhibits no significant in vitro biological activity against standard targets such as kinases or GPCRs. It is not an inhibitor of enzyme activity. As a triol, it is highly water-soluble and inert in cell culture. It does not cause cytotoxicity in vitro at concentrations up to 10 mM. Its value is in the lab, where it is used to create molecules that are later tested for activity in these assays.
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| ln Vivo |
There is no in vivo activity associated with (S)-(-)-Butane-1,2,4-triol as a drug. It is not administered in animal models for efficacy. As a chemical intermediate, its metabolic fate in vivo is irrelevant; its role is completed once the final drug product is synthesized. Any effects in vivo would be a result of the final drug molecule, not this intermediate. It is produced for research use only.
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| Enzyme Assay |
Cell‑free assays for this compound are not focused on bioactivity but on chemical purity and identity. A standard protocol for analysis uses GC-FID or GC-MS with a chiral column to determine the enantiomeric purity. HPLC with refractive index (RI) detection can also be used. These protocols assess the compound's suitability as a synthetic starting material by verifying its chemical and optical purity.
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| Cell Assay |
This compound is not used in standard cell-based assays. Adding it to cells would have no specific effect. Researchers utilize it as a raw material to synthesize drug candidates. Those final molecules are then taken into cell-based assays. As a pure reagent, it is essential for the preparation of stock solutions for these syntheses but is not otherwise added to culture media for experiments.
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| Animal Protocol |
No animal experiments are performed with (S)-(-)-Butane-1,2,4-triol itself. It is not a pharmaceutical candidate. It is used to synthesize active compounds that are later subjected to animal testing. For example, it could be a starting material for a chiral ligand used in the synthesis of a drug tested in a rat PK study. Therefore, no in vivo protocols exist for this intermediate.
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| ADME/Pharmacokinetics |
No pharmacokinetic data is available for (S)-(-)-Butane-1,2,4-triol. It is not considered a drug. It is a polar, water-soluble small molecule (Molecular Weight: 106.12 g/mol). It is supplied as a thick, colorless oil and must be stored at 4degC, protected from moisture (hygroscopic). It is intended for laboratory use only and not for in vivo administration.
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| Toxicity/Toxicokinetics |
Toxicological data is not extensively documented for this compound. Based on its structure, it is not expected to be highly toxic. It is a polyol similar to glycerol. However, appropriate laboratory safety precautions (gloves, eye protection) should be used, as it is a chemical reagent. No specific carcinogenicity, mutagenicity, or reproductive toxicity data is available in the public domain.
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| Additional Infomation |
1,2,4-Butanetriol, (2S)- is a secondary alcohol.
This product is an organic building block, a chiral intermediate, and a biochemical reagent. It is not a drug and has no approval or clinical trial status. Its purity is typically ≥95%, but high-purity grades are available. It is used in the production of statins, anti-cancer drugs, and other pharmaceuticals where chiral purity is critical. The molecular formula is C4H10O3. |
| Exact Mass |
106.063
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|---|---|
| CAS # |
42890-76-6
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| PubChem CID |
640997
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| Appearance |
Viscous Liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
303.9±0.0 °C at 760 mmHg
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| Flash Point |
153.9±16.4 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.487
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| LogP |
-2.09
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
7
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| Complexity |
37.9
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| Defined Atom Stereocenter Count |
1
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| InChi Key |
ARXKVVRQIIOZGF-BYPYZUCNSA-N
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| InChi Code |
InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
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| Chemical Name |
(2S)-butane-1,2,4-triol
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| Synonyms |
(S)-(-)-1,2,4-Butanetriol
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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.) |
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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