Isoandrographolide

Cat. No.: HY-N10359 Purity: 98.34%: Data Sheet
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Isoandrographolide is an orally active NLRP3 inflammasome inhibitor and AKT/GSK-3β/β-catenin pathway inhibitor. Isoandrographolide inhibits the expression of NLRP3, ASC, and caspase-1, and reduces the levels of phosphorylated AKT, phosphorylated GSK-3β, and β-catenin. Isoandrographolide 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, regulates cytokine levels, and also exhibits hepatoprotective effects. Isoandrographolide can be used in studies related to silicosis, murine myeloid leukemia, renal tubulointerstitial fibrosis, and non-alcoholic fatty liver disease.

For research use only. We do not sell to patients.

Isoandrographolide Chemical Structure

CAS No. : 4176-96-9

Size	Stock	Quantity
1 mg	In-stock	Estimated Time of Arrival: December 31
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
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NLRP3 NLRP1 NOD1 NOD2

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Caspase 1 Caspase 2 Caspase 3 Caspase 4 Caspase 5 Caspase 6 Caspase 7 Caspase 8 Caspase 9 Caspase 10 Caspase 12 Caspase Caspase 11 Caspase-13

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Akt Akt1 Akt2 Akt3

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GSK-3 GSK-3α GSK-3β

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]^[3]

NLRP3

Caspase-1

Akt

GSK-3β

In Vitro

Isoandrographolide (0.1-100 μM; 48 h) exhibits no significant cytotoxicity to A549 cells^[1].
Isoandrographolide (0.15-0.6 μM; 24 h) dose-dependently suppresses silica + LPS-induced migratory capacity of A549 cells^[1].
Isoandrographolide (0.15-0.6 μM; 24 h) dose-dependently downregulates silica + LPS-induced elevations in α-SMA, Col-III, FN, NLRP3, ASC and caspase-1 protein expression as well as IL-6, IL-1β and TGF-β1 mRNA expression in A549 cells^[1].
Isoandrographolide (5-50 μM; 48 h) potently induces phagocytosis and inhibits growth of mouse myeloid leukemia (M1) cells^[2].
Isoandrographolide binds to PPARα with a binding energy of -8.52 kcal/mol and an inhibition constant of 0.566 μM, demonstrating strong interaction with the target protein^[4].
Isoandrographolide (100-500 μM; 24 h) reduces HepG2 cell viability in a concentration-dependent manner, with a GI₂₅ of 878.18 μM^[4].
Isoandrographolide (12.5-50 μM; 24 h) reduces lipid accumulation, triglyceride levels, LDH leakage, and transaminase levels in PO-BSA induced steatotic HepG2 cells in a concentration-dependent manner^[4].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Cytotoxicity Assay^[1]

Cell Line:	human alveolar epithelial A549 cells
Concentration:	0.1 0.3, 1, 3, 10, 30, 100 μM
Incubation Time:	48 h
Result:	Showed no significant cytotoxicity at any tested concentration, including the highest dose of 100 μM, with cell viability remaining near 100% across all concentrations.

Cell Migration Assay^[1]

Cell Line:	silica + LPS-induced human alveolar epithelial A549 cells
Concentration:	0.15, 0.3, 0.6 μM
Incubation Time:	24 h
Result:	Dose-dependently inhibited silica + LPS-induced increases in A549 cell migratory capacity. Significantly reduced relative mobility compared to the silica + LPS group. Showed a more potent inhibitory effect than the same dose of Andrographolide (HY-N0191) at 0.6 μM.

Western Blot Analysis^[1]

Cell Line:	silica + LPS-induced human alveolar epithelial A549 cells
Concentration:	0.15, 0.3, 0.6 μM
Incubation Time:	24 h
Result:	Reduced silica + LPS-induced upregulation of α-SMA, Col-III and FN in a dose-dependent manner, and exerted stronger inhibitory effects than 0.6 μM andrographolide. Inhibited silica + LPS-induced increases in NLRP3, ASC and caspase-1 expression dose-dependently, and exhibited more potent activity than 0.6 μM andrographolide.

RT-PCR^[1]

Cell Line:	silica + LPS-induced human alveolar epithelial A549 cells
Concentration:	0.15, 0.3, 0.6 μM
Incubation Time:	24 h
Result:	Dose-dependently reduced silica + LPS-induced elevated mRNA levels of IL-6, IL-1β, and TGF-β1. Significantly decreased the relative mRNA expression of these cytokines compared to the silica + LPS group. Showed a more potent inhibitory effect than 0.6 μM andrographolide.

Cell Viability Assay^[4]

Cell Line:	HepG2 cells
Concentration:	100, 200, 300, 400, 500 μM
Incubation Time:	24 h
Result:	Reduced cell viability to 95.32% (100 μM), 91.91% (200 μM), 85.85% (300 μM), 80.59% (400 μM) and 68.76% (500 μM), with 300-500 μM showing significant decreases versus control; the GI₂₅ value was 878.18 μM.

In Vivo

Isoandrographolide (25-50 mg/kg; i.g.; daily; 28 days) dose-dependently ameliorates silica-induced silicosis in Mus musculus by inhibiting NLRP3 inflammasome activation, reducing pulmonary inflammation and fibrosis, and suppressing EMT^[1].
Isoandrographolide (25-100 mg/kg; i.g.; daily; 7 days) dose-dependently ameliorates tubulointerstitial fibrosis in UUO-induced mice^[3].
Isoandrographolide (25 mg/kg; p.o.; daily; 28 days) reduces plasma hepatotoxicity marker enzyme levels (ALT, AST) in HFD-fed rats with NAFLD^[4].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Kunming (KM) (male, 6-8 weeks old, 25 g)^[1]
Dosage:	25 mg/kg; 50 mg/kg
Administration:	i.g.; daily; 28 days
Result:	Significantly reduced silica-induced lung index and partially reversed body weight loss, and ameliorated lung morphological injury at 50 mg/kg. Decreased collagen volume fraction, hydroxyproline levels and Col-III expression, and regulated E-cadherin/α-SMA to inhibit EMT. Attenuated pulmonary inflammation and downregulated NLRP3/caspase-1 pathway. The 50 mg/kg dose showed stronger effects than 50 mg/kg andrographolide.

Animal Model:	Kunming (KM) (male, 6-8 weeks old, 20 g)^[3]
Dosage:	25 mg/kg; 50 mg/kg; 100 mg/kg
Administration:	i.g.; daily; 7 days
Result:	Significantly ameliorated renal pelvic dilation, cortical atrophy and tubular injury scores at 50 mg/kg and 100 mg/kg. Significantly lowered renal IL-1β levels at 50 mg/kg and 100 mg/kg, with 100 mg/kg showing stronger efficacy than 100 mg/kg andrographolide. Significantly decreased collagen volume fraction at 25-100 mg/kg; 50 mg/kg and 100 mg/kg exhibited stronger anti-fibrotic effects than 100 mg/kg andrographolide. Significantly restored E-cadherin expression and suppressed α-SMA and fibronectin expression at 50 mg/kg and 100 mg/kg, with stronger efficacy than equivalent doses of andrographolide. Significantly reduced renal tubular p-AKT1, p-GSK-3β and nuclear β-cadherin levels at 50 mg/kg and 100 mg/kg.

Molecular Weight

350.45

Formula

C₂₀H₃₀O₅

CAS No.

4176-96-9

Appearance

Solid

Color

White to off-white

SMILES

C[C@]12[C@@]3([H])[C@](OC(C4=CCOC4=O)C3)(CC[C@]1([H])[C@@](C)([C@@H](CC2)O)CO)C

Structure Classification

Initial Source

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (285.35 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	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

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (7.13 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (7.13 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (7.13 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.34%

Select Batch:

Data Sheet (290 KB) SDS (252 KB)

COA (256 KB) HNMR (219 KB) LCMS (159 KB)

Handling Instructions (2659 KB)

References

[1]. Song Z, et al. Isoandrographolide inhibits NLRP3 inflammasome activation and attenuates silicosis in mice. Int Immunopharmacol. 2022;105:108539. [Content Brief]

[2]. Matsuda T, et al. Cell differentiation-inducing diterpenes from Andrographis paniculata Nees. Chem Pharm Bull (Tokyo). 1994;42(6):1216-1225. [Content Brief]

[3]. Guan Z. Isoandrographolide from Andrographis paniculata ameliorates tubulointerstitial fibrosis in ureteral obstruction-induced mice, associated with negatively regulating AKT/GSK-3β/β-cat signaling pathway. Int Immunopharmacol. 2022;112:109201.

[4]. Toppo E, et al. Hepatoprotective effect of selected isoandrographolide derivatives on steatotic HepG2 cells and High Fat Diet fed rats. Eur J Pharmacol. 2021;899:174056.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.8535 mL	14.2674 mL	28.5347 mL	71.3369 mL
	5 mM	0.5707 mL	2.8535 mL	5.7069 mL	14.2674 mL
	10 mM	0.2853 mL	1.4267 mL	2.8535 mL	7.1337 mL
	15 mM	0.1902 mL	0.9512 mL	1.9023 mL	4.7558 mL
	20 mM	0.1427 mL	0.7134 mL	1.4267 mL	3.5668 mL
	25 mM	0.1141 mL	0.5707 mL	1.1414 mL	2.8535 mL
	30 mM	0.0951 mL	0.4756 mL	0.9512 mL	2.3779 mL
	40 mM	0.0713 mL	0.3567 mL	0.7134 mL	1.7834 mL
	50 mM	0.0571 mL	0.2853 mL	0.5707 mL	1.4267 mL
	60 mM	0.0476 mL	0.2378 mL	0.4756 mL	1.1889 mL
	80 mM	0.0357 mL	0.1783 mL	0.3567 mL	0.8917 mL
	100 mM	0.0285 mL	0.1427 mL	0.2853 mL	0.7134 mL