| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Isoandrographolide targets the NLRP3 inflammasome, a multiprotein complex involved in the activation of inflammatory responses. By inhibiting NLRP3 inflammasome activation, isoandrographolide reduces the production of pro-inflammatory cytokines such as IL-1β and IL-18. The compound also exhibits hepatoprotective effects and induces cell differentiation. It is a bioactive small molecule with multiple targets in inflammation and fibrosis pathways.
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| ln Vitro |
Isoandrographolide possesses cell differentiation-inducing and hepatoprotective effects. It inhibits NLRP3 inflammasome activation. The compound alleviates inflammatory responses, reduces collagen deposition, suppresses epithelial-mesenchymal transition (EMT), induces differentiation of leukemia cells, inhibits the growth of leukemia cells, protects lung and kidney tissues, and regulates cytokine levels. Isoandrographolide attenuates silicosis in mice.
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| ln Vivo |
In vivo, isoandrographolide attenuates silicosis in mice by inhibiting NLRP3 inflammasome activation. It alleviates inflammatory responses, reduces collagen deposition, and suppresses epithelial-mesenchymal transition in lung tissues. The compound also protects lung and kidney tissues and regulates cytokine levels. Isoandrographolide has been studied for its effects in murine myeloid leukemia, renal tubulointerstitial fibrosis, and non-alcoholic fatty liver disease.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for isoandrographolide typically involves measuring its inhibition of NLRP3 inflammasome activation. Cells (such as macrophages) are treated with LPS and ATP to activate the NLRP3 inflammasome in the presence of varying concentrations of isoandrographolide (typically 0.1-100 µM). The production of IL-1β and IL-18 is measured by ELISA. Caspase-1 activity is assessed using fluorogenic substrates. The compound is dissolved in DMSO and diluted in cell culture medium.
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| Cell Assay |
In vitro cellular assays for isoandrographolide typically involve treating various cell types (macrophages, leukemia cells, epithelial cells) with the compound at concentrations ranging from 0.1 to 100 µM for 24-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. NLRP3 inflammasome activation is assessed by measuring IL-1β and IL-18 production by ELISA. Cell differentiation is assessed by morphology and marker expression. The compound is dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for isoandrographolide typically involve administration to mice via oral gavage or intraperitoneal injection at doses determined from preclinical studies. Silicosis models are used to evaluate efficacy. Lung tissue is collected for histological analysis, collagen staining, and assessment of inflammatory cytokines. Leukemia models are used to study differentiation and anti-tumor effects. The compound's pharmacokinetics and pharmacodynamics are evaluated in these models.
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| ADME/Pharmacokinetics |
Isoandrographolide has a molecular weight of 350.45 g/mol and formula C20H30O5. It typically exists as a solid at room temperature with a LogP of 2.3. Recommended storage is powder at -20°C for 3 years. The compound may dissolve in DMSO. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination.
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| Toxicity/Toxicokinetics |
Isoandrographolide is intended for research use only and is not approved for human therapeutic applications. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. As an NLRP3 inflammasome inhibitor, the compound may affect normal inflammatory responses, which could contribute to potential toxicity. Appropriate safety precautions should be taken when handling.
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| References | |
| Additional Infomation |
Isoandrographolide (CAS 4176-96-9) is a bioactive compound with cell differentiation-inducing and hepatoprotective activities. It has a molecular weight of 350.45 g/mol and formula C20H30O5. Isoandrographolide inhibits NLRP3 inflammasome activation and alleviates silicosis in mice. It is used in research on silicosis, leukemia, renal fibrosis, and non-alcoholic fatty liver disease. The compound is not approved for clinical use.
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| Molecular Formula |
C20H30O5
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|---|---|
| Molecular Weight |
350.449206829071
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| Exact Mass |
350.209
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| CAS # |
4176-96-9
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| PubChem CID |
101243415
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| Appearance |
White to off-white solid
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| Source |
Originated from plants: Compositae Simsia foetida (Cav.) S.F.Blake
Originated from plants: Acanthaceae |
| LogP |
2.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
25
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| Complexity |
615
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@@]3([C@H]2CC(O3)C4=CCOC4=O)C)(C)CO)O
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| InChi Key |
QTYVPMSAPQBXMM-BXTHMLGCSA-N
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| InChi Code |
InChI=1S/C20H30O5/c1-18-7-5-16(22)19(2,11-21)14(18)4-8-20(3)15(18)10-13(25-20)12-6-9-24-17(12)23/h6,13-16,21-22H,4-5,7-11H2,1-3H3/t13?,14-,15-,16+,18+,19-,20+/m0/s1
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| Chemical Name |
4-[(3aR,5aS,6R,7R,9aR,9bS)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2H-furan-5-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) |
DMSO: ~100 mg/mL (~285.4 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.13 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.13 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.13 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8535 mL | 14.2674 mL | 28.5347 mL | |
| 5 mM | 0.5707 mL | 2.8535 mL | 5.7069 mL | |
| 10 mM | 0.2853 mL | 1.4267 mL | 2.8535 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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