| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| 500mg | |||
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| Other Sizes |
| Targets |
Specific molecular targets of 2,3-Didehydrosomnifericin have not been extensively characterized. As a withanolide from Withania somnifera, it may share biological activities with other withanolides, including anti-inflammatory, immunomodulatory, and neuroprotective effects. Withanolides are known to modulate various signaling pathways including NF-κB, STAT3, and heat shock proteins. The compound's steroidal lactone structure suggests potential interactions with steroid hormone receptors or other nuclear receptors, but specific targets have not been identified in the available literature.
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| ln Vitro |
In vitro activity data for 2,3-Didehydrosomnifericin are limited in the published literature. The compound has been primarily characterized as a natural product from Withania somnifera. As a withanolide, it may exhibit anti-inflammatory, cytotoxic, or immunomodulatory activities in cell-based assays. Withanolides are known to inhibit NF-κB activation, reduce inflammatory cytokine production, and induce apoptosis in cancer cells. However, detailed in vitro activity data including IC₅₀ values for 2,3-Didehydrosomnifericin specifically have not been extensively published.
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| ln Vivo |
In vivo activity data for 2,3-Didehydrosomnifericin are not available in the published literature. The compound has been primarily characterized as a natural product found in Withania somnifera. No in vivo pharmacological studies have been reported for this specific compound. Given its structural similarity to other bioactive withanolides from Ashwagandha, it may contribute to the adaptogenic, anti-inflammatory, and neuroprotective effects attributed to W. somnifera extracts. However, dedicated in vivo studies for this compound have not been conducted or reported.
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| Enzyme Assay |
In vitro assays for 2,3-Didehydrosomnifericin are not extensively documented. As a withanolide, potential assays could include evaluation of anti-inflammatory activity by measuring cytokine production in immune cells, cytotoxicity screening against cancer cell lines using MTT or SRB assays, and assessment of NF-κB or STAT3 pathway modulation using reporter gene assays. The compound's structure can be confirmed by NMR and MS. Purity is typically assessed by HPLC. The compound is stored desiccated at -20°C.
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| Cell Assay |
In vitro cellular assays for 2,3-Didehydrosomnifericin are not extensively documented. Potential cellular assays could include evaluation of cytotoxicity in cancer cell lines, anti-inflammatory activity in macrophages or other immune cells, and neuroprotective effects in neuronal cell cultures. Cells are treated with the compound and cell viability, cytokine production, or signaling pathway activation is measured. The compound is typically handled as a white crystalline powder 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 2,3-Didehydrosomnifericin have not been reported in the published literature. The compound has been studied primarily as a natural product from Withania somnifera. No animal studies have been conducted to evaluate its pharmacological effects, toxicity, or pharmacokinetics. Further research would be required to investigate its potential therapeutic applications in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 2,3-Didehydrosomnifericin have not been characterized. The compound has a molecular weight of 488.61 g/mol and a molecular formula of C₂₈H₄₀O₇. As a lipophilic steroidal lactone, it is expected to have reasonable membrane permeability and tissue distribution. The compound appears as a white crystalline powder and is stored desiccated at -20°C. 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 2,3-Didehydrosomnifericin has not been extensively documented. As a naturally occurring withanolide from Withania somnifera, a plant with a long history of use in traditional medicine, it is expected to have a relatively favorable safety profile. 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 |
According to reports, 2,3-dihydrosolanine has been found in both Withania aristata and Withania somnifera, and relevant data are available for reference.
2,3-Didehydrosomnifericin (CAS# 173614-88-5, molecular formula C₂₈H₄₀O₇, molecular weight 488.61) is a naturally occurring withanolide found in Withania somnifera and Withania aristata. It appears as a white crystalline powder and is stored desiccated at -20°C. Also known as 2,3-二氢梭菌素. No clinical trials or regulatory approvals have been identified. |
| Molecular Formula |
C28H40O7
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|---|---|
| Molecular Weight |
488.61
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| Exact Mass |
488.277
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| CAS # |
173614-88-5
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| PubChem CID |
70684083
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
677.4±55.0 °C at 760 mmHg
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| Flash Point |
222.2±25.0 °C
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| Vapour Pressure |
0.0±4.7 mmHg at 25°C
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| Index of Refraction |
1.594
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
35
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| Complexity |
986
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| Defined Atom Stereocenter Count |
11
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| SMILES |
[C@@]12([C@]3([H])CC[C@]([H])([C@H](C)[C@@]4([H])CC(C)=C(CO)C(=O)O4)[C@]3(CC[C@]1([H])[C@@]1([C@](O)([C@@H](O)C2)[C@@H](O)C=CC1=O)C)C)[H]
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| InChi Key |
MYGPMUHRIQQNSB-DAKZBPTQSA-N
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| InChi Code |
InChI=1S/C28H40O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31-32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1
|
| Chemical Name |
(2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5S,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-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 | 2.0466 mL | 10.2331 mL | 20.4662 mL | |
| 5 mM | 0.4093 mL | 2.0466 mL | 4.0932 mL | |
| 10 mM | 0.2047 mL | 1.0233 mL | 2.0466 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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