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| Other Sizes |
| Targets |
Valericanhydride does not have a defined pharmacological target as it is a chemical reagent and acylating agent. The compound is particularly suitable for introducing pentanoyl groups into target compounds through esterification, amidation, and Friedel-Crafts acylation reactions. Valeric acid and its derivatives have been shown to interact with the gamma-aminobutyric acid (GABA) system. The compound is used in the synthesis of non-imidazole histamine H3-antagonists and millepachine derivatives as tubulin polymerization inhibitors.
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| ln Vitro |
In study pertaining to life sciences, valeriananhydride is a biochemical reagent that can be utilized as an organic substance or biomaterial.
No specific in vitro pharmacological activity data are available for Valericanhydride as it is a chemical reagent. In research settings, the compound is used as an acylating agent and building block for synthesizing libraries of compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility, reactivity, and acylation efficiency rather than direct biological activity. The compound is used in the synthesis of alkyl 9-nitrocamptothecin esters. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Valericanhydride as it is not a therapeutic agent. The compound is used exclusively as a chemical reagent and is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis, polymer science, and pharmaceutical research laboratories. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, Valericanhydride is characterized by standard analytical techniques including GC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated as an acylating agent in various organic reactions including esterification, amidation, and Friedel-Crafts acylation. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity: ≥97% to ≥98%. Boiling point: 227-230°C.
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| Cell Assay |
Valericanhydride is not used in cell-based assays as it is a chemical reagent. The compound is intended for synthetic chemistry applications. If handled in a biological laboratory context, appropriate safety precautions should be taken due to the reactive nature of the anhydride. The compound is a liquid at room temperature and should be stored in a cool, dry place away from moisture and incompatible materials.
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| Animal Protocol |
Valericanhydride is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories with appropriate personal protective equipment. Storage: keep in a cool, dry place protected from moisture. The compound should be stored in a tightly sealed container. Standard handling procedures for acid anhydrides should be followed. The compound is classified as a dangerous good (RIDADR: UN 3265 8 / PGIII).
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| ADME/Pharmacokinetics |
Valericanhydride has a molecular weight of 186.25 and molecular formula C10H18O3. It is a colorless to pale yellow liquid with a boiling point of 227-230°C, melting point of -56°C, and density of 0.944 g/mL at 20°C. Refractive index (n20/D): 1.421. Purity: ≥97% to ≥98%. Storage: keep in a cool, dry place protected from moisture. The compound is a reactive acylating agent.
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| Toxicity/Toxicokinetics |
Valericanhydride is classified as a corrosive liquid. The compound is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. The compound is a reactive acylating agent and should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Keep away from moisture and incompatible materials. RIDADR: UN 3265 8 / PGIII.
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| Additional Infomation |
Valericanhydride (CAS 2082-59-9) is also known as valeric anhydride, pentanoic anhydride, pentanoic acid 1,1'-anhydride, and valeryl anhydride. It is used as a reactive acylating agent in esterification, amidation, and Friedel-Crafts acylation reactions. Applications include the synthesis of non-imidazole histamine H3-antagonists, millepachine derivatives as tubulin polymerization inhibitors, alkyl 9-nitrocamptothecin esters, and modified bismuth metal-organic frameworks. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C10H18O3
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|---|---|
| Molecular Weight |
186.25
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| Exact Mass |
186.125
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| CAS # |
2082-59-9
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| PubChem CID |
74959
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| Appearance |
Colorless to light yellow liquid（Density：0.944 g/cm3）
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
227.8±8.0 °C at 760 mmHg
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| Melting Point |
−56 °C(lit.)
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| Flash Point |
101.1±0.0 °C
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| Vapour Pressure |
0.1±0.5 mmHg at 25°C
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| Index of Refraction |
1.430
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
13
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| Complexity |
146
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCC(=O)OC(=O)CCCC
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| InChi Key |
DUCKXCGALKOSJF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
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| Chemical Name |
pentanoyl pentanoate
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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 | 5.3691 mL | 26.8456 mL | 53.6913 mL | |
| 5 mM | 1.0738 mL | 5.3691 mL | 10.7383 mL | |
| 10 mM | 0.5369 mL | 2.6846 mL | 5.3691 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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