| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Colupulone's molecular targets are not well-characterized. As a bitter β-acid from hops, it may interact with bitter taste receptors (TAS2Rs). The compound may also exhibit antimicrobial or other biological activities characteristic of hop-derived bitter acids. However, specific molecular targets have not been extensively identified in the published literature. The compound is classified under "Others" for its target category. Further studies are needed to elucidate its mechanism of action and potential biological activities.
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|---|---|
| ln Vitro |
In vitro activity data for β-Acids colupulone are limited in the published literature. The compound is a bitter substance isolated from hops. As a hop β-acid, it may exhibit antimicrobial activity against bacteria and fungi, as well as potential anti-inflammatory or antioxidant properties. However, detailed in vitro activity data including IC₅₀ values are not extensively published. The compound is primarily characterized as a bitter substance and a component of hop extracts.
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| ln Vivo |
In vivo activity data for β-Acids colupulone are limited in the published literature. The compound is a bitter β-acid from hops and is consumed as a component of beer. No specific in vivo pharmacological studies have been reported for this compound. Given its presence in hops, which have traditional uses for sedation and digestion, colupulone may contribute to the biological effects of hop extracts. However, dedicated in vivo studies for this specific compound have not been conducted or reported.
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| Enzyme Assay |
In vitro assays for β-Acids colupulone are not extensively documented. As a hop β-acid, potential assays could include evaluation of antimicrobial activity using broth microdilution or disc diffusion methods against bacterial and fungal strains. Bitter taste receptor activation could be assessed using cell-based calcium imaging assays in cells expressing TAS2Rs. The compound's structure can be confirmed by NMR and MS. Purity is typically assessed by HPLC. The compound is a bitter substance extracted from hops.
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| Cell Assay |
In vitro cellular assays for β-Acids colupulone are not extensively documented. Potential cellular assays could include evaluation of antimicrobial activity in bacterial or fungal culture systems. Cytotoxicity may be assessed in relevant cell lines using MTT or similar assays. The compound's effects on bitter taste receptor-expressing cells could be evaluated using calcium imaging or reporter gene assays. The compound is typically handled as a solid and may be soluble in organic solvents such as DMSO or ethanol for cell culture applications.
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| Animal Protocol |
In vivo animal experiments for β-Acids colupulone have not been extensively reported. As a hop-derived bitter acid, potential studies could involve oral administration to rodent models to evaluate effects on digestion, sedation, or inflammation. However, such studies have not been published for this specific compound. The compound is primarily studied as a component of hop extracts rather than as an isolated pharmacological agent.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of β-Acids colupulone have not been extensively characterized. The compound has a molecular weight of 400.55 g/mol and a molecular formula of C₂₅H₃₆O₄. As a lipophilic prenylated acylphloroglucinol, it is expected to have reasonable membrane permeability and oral bioavailability. The compound is a bitter substance extracted from hops. Further pharmacokinetic studies including absorption, distribution, metabolism, and excretion would be needed to characterize its in vivo behavior.
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| Toxicity/Toxicokinetics |
The toxicological profile of β-Acids colupulone has not been extensively documented. As a hop β-acid consumed as a component of beer, it is generally recognized as safe at typical dietary exposure levels. However, comprehensive toxicological evaluations including acute toxicity, genotoxicity, and repeated-dose studies have not been reported. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Humulone is a β-bitter acid with an isobutyryl acyl group. It is the conjugate acid of humulone (1-). Humulone has been reported to exist in hops, and relevant data are available for reference.
β-Acids colupulone (CAS# 468-27-9, molecular formula C₂₅H₃₆O₄, molecular weight 400.55) is a bitter β-acid isolated from hops. Also known as colupulone and NSC 650561. It is a bitter substance that contributes to the characteristic bitterness of beer. No clinical trials or regulatory approvals have been identified. |
| Molecular Formula |
C25H36O4
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|---|---|
| Molecular Weight |
400.55
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| Exact Mass |
400.261
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| Elemental Analysis |
C, 74.96; H, 9.06; O, 15.98
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| CAS # |
468-27-9
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| PubChem CID |
373677
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| Appearance |
Solid powder
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| Density |
1.053g/cm3
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| Boiling Point |
573.8ºC at 760 mmHg
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| Flash Point |
314.9ºC
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| Vapour Pressure |
1.48E-15mmHg at 25°C
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| Index of Refraction |
1.532
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| LogP |
6.473
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
29
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| Complexity |
797
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(=CCC1=C(C(=C(C(CC=C(C)C)(CC=C(C)C)C1=O)O)C(=O)C(C)C)O)C
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| InChi Key |
UNCDMWKTFLUPHZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3
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| Chemical Name |
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
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| Synonyms |
NSC650561; NSC 650561; NSC-650561; Colupulone
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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 | 2.4966 mL | 12.4828 mL | 24.9657 mL | |
| 5 mM | 0.4993 mL | 2.4966 mL | 4.9931 mL | |
| 10 mM | 0.2497 mL | 1.2483 mL | 2.4966 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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