| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
GABA receptors; sedative and anxiolytic targets. Baldrinal, as a valepotriate from Valeriana species, may contribute to the sedative and anxiolytic effects of valerian. Valepotriates are believed to interact with GABA receptors or other targets involved in anxiety and sleep regulation. The compound's mechanism may involve modulation of GABAergic neurotransmission or other sedative pathways. However, the exact mechanism of action of baldrial and other valepotriates is not fully characterized.
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| ln Vitro |
Baldrinal exhibits sedative and anxiolytic activities characteristic of valepotriates from Valeriana species. The compound may modulate GABAergic neurotransmission or interact with other targets involved in anxiety and sleep regulation. Its specific in vitro activities depend on the concentrations tested and the assay systems used. Further studies are needed to fully characterize its activity profile.
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| ln Vivo |
In vivo studies of baldrial are limited. As a valepotriate from valerian, it may contribute to the sedative and anxiolytic effects of valerian extracts, which have been used in traditional medicine for insomnia and anxiety. The compound may be evaluated in animal models of anxiety and sleep. Further studies are needed to characterize its specific in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
Non-cell-based assays for baldrial include receptor binding assays using GABA receptors or other targets. Standard analytical methods including HPLC, NMR, and mass spectrometry are used for compound characterization and purity assessment. The compound's physicochemical properties such as solubility and stability are determined using standard protocols.
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| Cell Assay |
Cell-based assays for baldrial use various cell lines to assess its biological activities. GABA receptor modulation can be assessed using cells expressing GABA receptors and measuring chloride flux or membrane potential changes. For sedative activity, neuronal cell lines can be used to study effects on neuronal excitability. Cytotoxicity is assessed using standard cell viability assays.
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| Animal Protocol |
In vivo studies of baldrial are limited. Based on its sedative and anxiolytic activities, potential animal models include: elevated plus maze, open field test, and light-dark box for anxiety evaluation; and pentobarbital-induced sleep test for sedative evaluation. Standard protocols for these models involve administration of the compound followed by behavioral assessment.
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| ADME/Pharmacokinetics |
Baldrinal has a molecular formula of C₁₀H₁₀O₄ and a molecular weight of approximately 194.18 g/mol. The CAS number is 18234-46-3. It is a naturally occurring iridoid compound found in Valeriana species (valerian). Valepotriates are a class of iridoid esters found in valerian root known for their sedative and anxiolytic activities. The compound should be stored under recommended conditions. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for baldrial are limited. As a natural valepotriate, it is generally considered to have low toxicity at therapeutic doses. Valerian extracts are generally recognized as safe for short-term use. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment. It is intended for research use only.
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| References | |
| Additional Infomation |
Baldrinal is an aromatic formaldehyde. It has been reported to be found in Valeriana edulis, Valeriana officinalis, and other organisms with available data.
Baldrinal (valeral) is a naturally occurring iridoid compound found in Valeriana species (valerian), a plant used in traditional medicine for its sedative and anxiolytic properties. Valepotriates, including baldrial, are a class of iridoid esters found in valerian root known for their sedative, anxiolytic, and spasmolytic activities. Valerian has been used for centuries for the treatment of insomnia, anxiety, and nervous disorders. Baldrinal is used as a reference standard for the identification and quantification of valepotriates in valerian extracts and for research purposes. It is for research use only. |
| Molecular Formula |
C12H10O4
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|---|---|
| Molecular Weight |
218.21
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| Exact Mass |
218.058
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| CAS # |
18234-46-3
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| PubChem CID |
159846
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| Appearance |
Brown to orange Solid
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| Density |
1.29g/cm3
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| Boiling Point |
451.4ºC at 760mmHg
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| Flash Point |
206.2ºC
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| Vapour Pressure |
2.44E-08mmHg at 25°C
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| Index of Refraction |
1.579
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| LogP |
2.26
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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 |
4
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| Heavy Atom Count |
16
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| Complexity |
276
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(OCC1=COC=C2C(=CC=C12)C=O)=O
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| InChi Key |
QIUOVIRIFZOCLL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3
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| Chemical Name |
(7-formylcyclopenta[c]pyran-4-yl)methyl acetate
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| Synonyms |
Baldrinal
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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) |
DMSO: 16.67 mg/mL (76.39 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (7.65 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 16.7 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: ≥ 1.67 mg/mL (7.65 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 16.7 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5827 mL | 22.9137 mL | 45.8274 mL | |
| 5 mM | 0.9165 mL | 4.5827 mL | 9.1655 mL | |
| 10 mM | 0.4583 mL | 2.2914 mL | 4.5827 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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