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| 5mg |
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| Targets |
Clemastanin B targets the influenza virus life cycle at multiple stages. The compound inhibits virus multiplication, provides prophylaxis, and blocks virus attachment. It specifically targets viral endocytosis, uncoating, or ribonucleoprotein (RNP) export from the nucleus. The compound's mechanism involves interfering with viral entry and replication. Clemastanin B also has antioxidant and anti-inflammatory activities.
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| ln Vitro |
Clemastanin B was found to be inactive against respiratory syncytial virus (RSV), adenovirus 3 (ADV3), parainfluenza virus 3 (PIV3), enterovirus 71 (EV71), and human rhinovirus (HRV), but it inhibits several subtypes of human (H1N1, including swine-origin H1N1; H3N2 and influenza B) and avian influenza viruses (H6N2, H7N3, and H9N2) at varying magnitudes of activity (IC50 0.087-0.72 mg/ml). Nucleoprotein (NP) distribution in the nuclei of MDCK cells is caused by clemastanin B treatment (0.05, 0.1, 0.2, and 0.4 mg/ml; for 8 hours)[1]. Progeny virus titer reduction in MDCK cells is markedly inhibited by clemastanin B (48–72 hours) following virus incubation (MOI, 0.01; for 2 hours)[1]. When MDCK cell lines are infected with influenza virus, clemastanin B (pre-incubated for 2 hours) has no protective effect[1].
In vitro studies demonstrate that clemastanin B inhibits different subtypes of human influenza viruses (H1N1, including swine-origin H1N1; H3N2 and influenza B) and avian influenza viruses (H6N2, H7N3, H9N2) with IC50 values ranging from 0.087-0.72 mg/ml. The compound was inactive against respiratory syncytial virus (RSV), adenovirus 3 (ADV3), parainfluenza virus 3 (PIV3), enterovirus 71 (EV71), and human rhinovirus (HRV). Clemastanin B (0.05, 0.1, 0.2, 0.4 mg/ml; 8 hours) treatment results in nucleoprotein (NP) distribution in the nuclei of MDCK cells. The compound (48-72 h) after virus incubation causes a pronounced titer reduction of progeny virus in MDCK cells. Pre-incubation with clemastanin B for 2 h has no protective effect on MDCK cell lines with influenza virus. |
| ln Vivo |
No detailed in vivo activity data has been published for clemastanin B. The compound has been primarily characterized in vitro as a research tool for studying influenza virus infection. Its ability to inhibit virus multiplication and block virus attachment suggests that it could have potential for in vivo applications, but further studies would be needed to evaluate its efficacy in animal models of influenza infection. The compound also has antioxidant and anti-inflammatory activities that may contribute to in vivo effects.
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| Enzyme Assay |
The antiviral activity of clemastanin B can be assessed using in vitro assays with MDCK cells infected with influenza virus. In a typical assay, MDCK cells are infected with influenza virus at an MOI of 0.01 for 2 hours, then treated with varying concentrations of clemastanin B (0.05-0.4 mg/ml). Viral replication is assessed by measuring nucleoprotein (NP) distribution in nuclei by immunofluorescence. Progeny virus titer is measured using plaque assays or TCID50 assays. The compound's ability to block virus attachment can be assessed by pre-incubating the virus with the compound before infection.
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| Cell Assay |
The cellular activity of clemastanin B is assessed using MDCK cells infected with influenza virus. Cells are treated with clemastanin B at varying concentrations (0.05-0.4 mg/ml). Viral replication is assessed by measuring nucleoprotein (NP) distribution in nuclei by immunofluorescence. Progeny virus titer is measured using plaque assays or TCID50 assays. The compound's ability to block virus attachment is assessed by pre-incubating the virus with the compound before infection. Cytotoxicity is assessed in uninfected cells using MTT assays.
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| Animal Protocol |
No detailed in vivo animal model data has been published for clemastanin B. The compound has been primarily characterized in vitro as a research tool for studying influenza virus infection. Future studies may involve the use of mouse models of influenza infection to assess the in vivo efficacy of clemastanin B. The compound's antioxidant and anti-inflammatory activities may also be evaluated in appropriate models.
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| ADME/Pharmacokinetics |
Clemastanin B has a molecular weight of 684.68 g/mol and a molecular formula of C32H44O16. It is a white to off-white solid powder. The compound is typically stored at 4°C, protected from light. In solvent, it can be stored at -80°C for 6 months or at -20°C for 1 month (protected from light). Further studies would be needed to characterize the absorption, distribution, metabolism, and excretion properties of clemastanin B.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for clemastanin B. As a natural lignin compound, it may have a favorable safety profile. The compound is intended for research use only. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. Its antioxidant and anti-inflammatory activities suggest that it may have beneficial effects, but off-target effects would need to be assessed.
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| References |
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| Additional Infomation |
Clemastanin B has been reported to be found in Plocama calabrica, Brassica rapa, and other organisms with available data.
Clemastanin B (CAS# 112747-98-5) is a lignin with potent anti-influenza activities against human and avian influenza viruses with IC50 values of 0.087-0.72 mg/ml. The compound inhibits virus multiplication, provides prophylaxis, and blocks virus attachment. It targets viral endocytosis, uncoating, or RNP export from the nucleus. Clemastanin B also has antioxidant and anti-inflammatory activities. The molecular formula is C32H44O16 and molecular weight is 684.68 g/mol. The compound is inactive against RSV, ADV3, PIV3, EV71, and HRV. |
| Molecular Formula |
C32H44O16
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| Molecular Weight |
684.68
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| Exact Mass |
684.262
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| CAS # |
112747-98-5
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| PubChem CID |
10009802
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
922.6±65.0 °C at 760 mmHg
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| Flash Point |
511.8±34.3 °C
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| Vapour Pressure |
0.0±0.3 mmHg at 25°C
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| Index of Refraction |
1.630
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| LogP |
-2.82
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
48
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| Complexity |
978
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| Defined Atom Stereocenter Count |
13
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| SMILES |
COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
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| InChi Key |
PBLWZMSRSJTRHJ-NCIRKIHRSA-N
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| InChi Code |
InChI=1S/C32H44O16/c1-42-20-8-14(3-5-18(20)45-31-28(40)26(38)24(36)22(11-34)47-31)7-16-13-44-30(17(16)10-33)15-4-6-19(21(9-15)43-2)46-32-29(41)27(39)25(37)23(12-35)48-32/h3-6,8-9,16-17,22-41H,7,10-13H2,1-2H3/t16-,17-,22+,23+,24+,25+,26-,27-,28+,29+,30+,31+,32+/m0/s1
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| Chemical Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol
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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) |
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 | 1.4605 mL | 7.3027 mL | 14.6054 mL | |
| 5 mM | 0.2921 mL | 1.4605 mL | 2.9211 mL | |
| 10 mM | 0.1461 mL | 0.7303 mL | 1.4605 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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