| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The molecular targets of Isohemiphloin include cyclooxygenase-2 (COX-2), with which it is predicted to interact. It also targets enzymes and receptors involved in oxidative stress, inflammation, and microbial growth. It shows high binding energies against selected diabetes target proteins in molecular docking studies. These findings suggest it may have potential as an antipyretic, anti-inflammatory, and antidiabetic agent.
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| ln Vitro |
In vitro, Isohemiphloin exhibits significant biological activities, including anti-inflammatory, antioxidant, and potential antipyretic effects. Molecular docking studies indicate that it shows high binding energies against selected diabetes target proteins. It is predicted to interact with the cyclooxygenase-2 (4PH9) receptor. However, specific in vitro potency data such as IC₅₀ values are not detailed in the available sources.
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| ln Vivo |
Specific in vivo activity data for Isohemiphloin are not available in the consulted sources. Its predicted interaction with COX-2 and high binding energies against diabetes target proteins suggest potential in vivo efficacy as an antipyretic, anti-inflammatory, and antidiabetic agent. However, no specific in vivo studies have been reported. Further research is needed to evaluate its pharmacokinetics and efficacy.
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| Enzyme Assay |
Typical in vitro assays for Isohemiphloin include COX-2 inhibition assays, where the enzyme is incubated with arachidonic acid substrate and various concentrations of the compound, and prostaglandin production is measured. Antioxidant assays include DPPH and ABTS radical scavenging assays. Anti-inflammatory assays measure NO production in LPS-stimulated macrophages. Molecular docking studies are used to predict binding interactions with target proteins.
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| Cell Assay |
Cellular assays for Isohemiphloin typically involve treating macrophages, adipocytes, or other cell lines with the compound at concentrations ranging from 1-100 µM for 24-48 hours. Inflammatory markers such as NO, COX-2, TNF-α, and IL-6 are measured by ELISA or Western blot. Glucose uptake is measured in adipocytes or muscle cells. These cell-based systems allow for detailed analysis of the compound's mechanism of action.
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| Animal Protocol |
In vivo animal experiments for Isohemiphloin are not detailed in the available literature. For antipyretic studies, typical animal models include yeast-induced fever in rats. For anti-inflammatory studies, models such as carrageenan-induced paw edema are used. For antidiabetic studies, diabetic mouse models are used. However, such studies have not been reported for this specific compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Isohemiphloin are limited. As a flavonoid C-glycoside with a molecular weight of 434.39 g/mol, it would be expected to have poor oral bioavailability. C-glycosides are more resistant to hydrolysis than O-glycosides, which may affect their metabolism. Detailed ADME parameters are not available in the consulted sources.
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| Toxicity/Toxicokinetics |
Toxicological data for Isohemiphloin are limited. As a natural flavonoid, it is generally considered to have low toxicity. However, comprehensive toxicological studies have not been reported. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Isoflavones are C-glycoside compounds formed by the substitution of (S)-naringin at the 8-position of a C-glycosidic bond with a β-D-glucopyranose residue. It is a plant metabolite. It is a C-glycoside compound belonging to the trihydroxyflavanone class, and is a member of the 4'-hydroxyflavanone and (2S)-flavan-4-one classes. Functionally, it is related to (S)-naringin.
See also: 8-C-glucosylnaringin (note moved here). Isohemiphloin is a flavonoid C-glycoside from Abrus precatorius with anti-inflammatory, antioxidant, antipyretic, and potential antidiabetic activities. It is predicted to interact with COX-2 and shows high binding energies against diabetes target proteins. It is a research compound for studying inflammation, oxidative stress, fever, and diabetes. It is not approved for any clinical indication. |
| Molecular Formula |
C21H22O10
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|---|---|
| Molecular Weight |
434.39
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| Exact Mass |
434.121
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| CAS # |
3682-02-8
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| PubChem CID |
42607891
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
785.2±60.0 °C at 760 mmHg
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| Flash Point |
278.5±26.4 °C
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| Vapour Pressure |
0.0±2.9 mmHg at 25°C
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| Index of Refraction |
1.715
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| LogP |
2.37
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| Hydrogen Bond Donor Count |
7
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
31
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| Complexity |
638
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
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| InChi Key |
VPQWOQSQAVBHEV-VHLXACGYSA-N
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| InChi Code |
InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14+,17+,18-,19+,21-/m0/s1
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| Chemical Name |
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
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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 | 2.3021 mL | 11.5104 mL | 23.0208 mL | |
| 5 mM | 0.4604 mL | 2.3021 mL | 4.6042 mL | |
| 10 mM | 0.2302 mL | 1.1510 mL | 2.3021 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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