| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
L-Valinol does not have a defined pharmacological target of its own, as it is a chiral building block used in synthesis. It is used as a reagent for the synthesis of simple 1,3-thiazolidine-2-thione derivatives with fungicidal activity. It is also used in clinical trials to synthesize small molecule inhibitors of MDM2-p53 protein-protein interaction (MDM2 inhibitors) for the treatment of cancer.
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|---|---|
| ln Vitro |
In vitro, L-valinol is primarily used as a chemical reagent and synthetic intermediate. It reacts with aldehydes and nitriles to form imines and oxazolines, respectively, for asymmetric synthesis. It is used for the preparation of 4-isopropyloxazolidinones. As a chiral amino alcohol, it is a valuable building block for the synthesis of enantiomerically pure pharmaceutical compounds and other bioactive molecules.
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| ln Vivo |
In vivo data for L-valinol itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of drug candidates such as MDM2-p53 inhibitors that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from its chiral scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, L-valinol is used as a chiral building block for the preparation of various compounds. Standard protocols involve reacting L-valinol with aldehydes to form imines (Schiff bases) or with nitriles to form oxazolines. The compound can also be used in the synthesis of 1,3-thiazolidine-2-thione derivatives. The amino alcohol functionality enables a wide range of transformations while maintaining stereochemical integrity.
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| Cell Assay |
For in vitro cell-based experiments, L-valinol is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using L-valinol are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For MDM2-p53 inhibitors derived from this building block, efficacy studies would typically be performed in mouse xenograft models of cancer. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of tumor volume over time.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of L-valinol as a standalone compound are not characterized in the literature. The compound has a molecular weight of 103.17 g/mol, which is very favorable for oral bioavailability. The amino alcohol functionality may influence water solubility and metabolic conjugation. The compound's chiral nature is important for the synthesis of enantiomerically pure drug candidates. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
L-Valinol is a research chemical and should be handled with appropriate laboratory safety precautions. As an amino alcohol, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| Additional Infomation |
L-Valinol ((S)-2-Amino-3-methyl-butanol) (CAS 2026-48-4) is primarily a research-grade chiral building block, not an FDA-approved pharmaceutical drug. Its primary applications are in asymmetric synthesis for the preparation of enantiomerically pure compounds, in the synthesis of MDM2-p53 inhibitors for cancer research, and in the preparation of fungicidal agents. No clinical trials or approved therapeutic indications exist for this compound as a drug.
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| Molecular Formula |
C5H13NO
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|---|---|
| Molecular Weight |
103.16
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| Exact Mass |
103.099
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| CAS # |
2026-48-4
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| Related CAS # |
D-Valinol;4276-09-9
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| PubChem CID |
640993
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| Appearance |
Colorless to off-white <30°C powder,>34°C liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
186.8±13.0 °C at 760 mmHg
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| Melting Point |
30-34 °C
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| Flash Point |
91.1±0.0 °C
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| Vapour Pressure |
0.2±0.8 mmHg at 25°C
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| Index of Refraction |
1.447
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| LogP |
-0.08
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
7
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| Complexity |
45.3
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| Defined Atom Stereocenter Count |
1
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| SMILES |
OC[C@H](C(C)C)N
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| InChi Key |
NWYYWIJOWOLJNR-RXMQYKEDSA-N
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| InChi Code |
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
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| Chemical Name |
(2S)-2-amino-3-methylbutan-1-ol
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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) |
DMSO: ≥ 100 mg/mL (~969.4 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.23 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (24.23 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (24.23 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 9.6937 mL | 48.4684 mL | 96.9368 mL | |
| 5 mM | 1.9387 mL | 9.6937 mL | 19.3874 mL | |
| 10 mM | 0.9694 mL | 4.8468 mL | 9.6937 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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