| Size | Price | Stock | Qty |
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| 10mg |
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| 50mg |
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| 100mg |
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| Targets |
NLRP1; NLRP3[1]
NLRP1 and NLRP3, two key components of the inflammasome family. ADS032 is a dual inhibitor of NLRP1 and NLRP3 inflammasomes. It can rapidly, reversibly, and stably inhibit inflammasome formation. By inhibiting both NLRP1 and NLRP3, ADS032 blocks the activation of caspase-1 and the subsequent maturation and release of IL-1β and IL-18, as well as pyroptosis. |
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| ln Vitro |
In vitro, ADS032 is a dual inhibitor of NLRP1 and NLRP3 inflammasomes. It reduces NLRP1 and NLRP3 activation in human macrophages and bronchial epithelial cells, inhibiting the secretion and maturation of IL-1β and TNF-α. ADS032 also reduces NLRP3-induced ASC speck formation, a hallmark of NLRP3 inflammasome activation. The compound's dual inhibition profile makes it a valuable tool for studying inflammasome biology.
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| ln Vivo |
In vivo, ADS032 can be used to study respiratory inflammation or infection. By inhibiting NLRP1 and NLRP3 inflammasomes, the compound may reduce airway inflammation and tissue damage in respiratory diseases. However, detailed in vivo efficacy data in animal models of respiratory inflammation are limited in the available literature.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assay for ADS032 is not a typical enzyme inhibition assay, as NLRP1 and NLRP3 are not enzymes but scaffolding proteins. Instead, the compound's activity is assessed in cell-based assays measuring inflammasome activation. The binding of ADS032 to NLRP1 and NLRP3 could potentially be assessed using biophysical techniques, but such assays are not described in the available literature.
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| Cell Assay |
In vitro cellular assays for ADS032 are performed using human macrophages or bronchial epithelial cells. Cells are primed with LPS and then stimulated with an inflammasome activator (e.g., nigericin for NLRP3, or other appropriate stimuli for NLRP1) in the presence of varying concentrations of ADS032. IL-1β and TNF-α production is measured in the culture supernatant by ELISA. ASC speck formation is assessed by immunofluorescence microscopy. The compound's ability to inhibit inflammasome activation is evaluated.
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| Animal Protocol |
In vivo animal experiments for ADS032 would typically be conducted in rodent models of respiratory inflammation or infection, such as LPS-induced acute lung injury or bacterial pneumonia models. The compound would be administered via oral gavage, intraperitoneal injection, or intranasal administration. Pharmacodynamic endpoints would include the measurement of IL-1β and TNF-α in bronchoalveolar lavage fluid or lung tissue, assessment of inflammasome activation markers, histopathological evaluation of lung inflammation and tissue damage, and assessment of bacterial clearance in infection models.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ADS032 are limited. As a small molecule with a molecular weight of 403.53 g/mol and a molecular formula of C22H29NO4S, ADS032 is expected to have moderate oral bioavailability and tissue distribution. However, detailed pharmacokinetic parameters such as half-life, Cmax, AUC, and clearance have not been extensively reported. Further studies would be required to fully characterize its ADME properties.
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| Toxicity/Toxicokinetics |
Toxicology data for ADS032 are limited. The compound is used for research purposes only and is not approved for human use. No significant toxicities have been reported in the available literature. As an NLRP1 and NLRP3 inhibitor, the compound may have immunomodulatory effects that could impact host defense against infections. Careful evaluation of safety and potential off-target effects would be required for therapeutic development.
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| References | |
| Additional Infomation |
ADS032 (CAS: 2757333-37-0) has a molecular formula of C22H29NO4S and a molecular weight of 403.53. It is also known as BT-032. ADS032 is a dual inhibitor of NLRP1 and NLRP3 inflammasomes that rapidly, reversibly, and stably inhibits inflammasome formation. It reduces IL-1β and TNF-α secretion in human macrophages and bronchial epithelial cells and can be used to study respiratory inflammation or infection. The compound is not approved for human use.
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| Molecular Formula |
C22H29NO4S
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|---|---|
| Molecular Weight |
403.534965276718
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| Exact Mass |
403.181
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| CAS # |
2757333-37-0
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| PubChem CID |
162429727
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
28
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| Complexity |
550
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(=O)O
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| InChi Key |
UNMDICXGCNPMPK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H29NO4S/c1-3-16-23(17-4-2)28(26,27)21-14-12-20(13-15-21)19-10-8-18(9-11-19)6-5-7-22(24)25/h8-15H,3-7,16-17H2,1-2H3,(H,24,25)
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| Chemical Name |
4-[4-[4-(dipropylsulfamoyl)phenyl]phenyl]butanoic acid
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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 | 2.4781 mL | 12.3903 mL | 24.7807 mL | |
| 5 mM | 0.4956 mL | 2.4781 mL | 4.9561 mL | |
| 10 mM | 0.2478 mL | 1.2390 mL | 2.4781 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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