INF39 | CAS#866028-26-4 | NLRP3 inhibitor

MedKoo Cat#: 530591 | Name: INF39

Description:

WARNING: This product is for research use only, not for human or veterinary use.

INF39 is a nontoxic, irreversible NLRP3 inhibitor able to decrease interleukin-1β release from macrophages. INF39 Targets the NLRP3 Inflammasome, and may be useful for the Treatment of Inflammatory Bowel Disease. Bioluminescence resonance energy transfer experiments proved that INF39 was able to directly interfere with NLRP3 activation in cells.

Chemical Structure

INF39

CAS#866028-26-4

Theoretical Analysis

MedKoo Cat#: 530591

Name: INF39

CAS#: 866028-26-4

Chemical Formula: C12H13ClO2

Exact Mass: 224.0604

Molecular Weight: 224.68

Elemental Analysis: C, 64.15; H, 5.83; Cl, 15.78; O, 14.24

Price and Availability

Size	Price	Availability
10mg	USD 250.00	2 Weeks
25mg	USD 450.00	2 Weeks
500mg	USD 2,450.00	2 Weeks
1g	USD 3,250.00	2 Weeks
2g	USD 5,850.00	2 Weeks

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Related CAS #

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Synonym

INF39; INF-39; INF 39

IUPAC/Chemical Name

ethyl 2-(2-chlorobenzyl)acrylate

InChi Key

VTAOWWAFBSFWSG-UHFFFAOYSA-N

InChi Code

InChI=1S/C12H13ClO2/c1-3-15-12(14)9(2)8-10-6-4-5-7-11(10)13/h4-7H,2-3,8H2,1H3

SMILES Code

ClC1=C(CC(C(OCC)=O)=C)C=CC=C1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Human inflammatory bowel diseases (IBD), the most important entities being ulcerative colitis and Crohn’s disease, are chronic relapsing−remitting inflammatory conditions that result from a chronic dysregulation of the mucosal immune system in the gastrointestinal tract. Ulcerative colitis is a recognized risk factor for colitis-associated colon cancer.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

INF39 is an irreversible and noncytotoxic NLRP3 inhibitor.

In vitro activity:

To further explore the role of NLRP3 in the effects of arctigenin on inflammation in DSS-induced acute colitis, NLRP3 inhibitor, 12.5 mg/kg of INF39 was used to DSS-induced acute colitis by arctigenin. As showed in Figure 8A-E, NLRP3 inhibitor suppressed the protein expression of IL-1β, IL-18, caspase-1 and NLRP3 in DSS-induced acute colitis by arctigenin, compared with treatment with arctigenin group. Next, NLRP3 inhibitor also increased the effects of arctigenin on the weight, colon length, histochemical score and MPO activity levels in DSS-induced acute colitis, compared with treatment with arctigenin group (Figure 8F-K). Reference: Am J Transl Res. 2019 Jul 15;11(7):3992-4009. https://pubmed.ncbi.nlm.nih.gov/31396314/

In vivo activity:

Additionally, this study detected the expression of NLRP3 inflammasome pathway in the OGD/R-induced hepatocytes which had been treated with the autophagy agonist and inhibitor, and found that autophagy negatively regulated the NLRP3 inflammasome pathway. Moreover, this study discovered that the administration of NLRP3-inhibitor INF39 increased cell viability and caused a decline in cell death in the OGD/R-treated hepatocytes. Reference: Int Immunopharmacol. 2022 Mar;104:108443. https://pubmed.ncbi.nlm.nih.gov/35021129/

	Solvent	mg/mL	mM
Solubility
	DMSO	66.0	293.75
	Ethanol	30.0	133.52

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 224.68 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Pu Z, Han C, Zhang W, Xu M, Wu Z, Liu Y, Wu M, Sun H, Xie H. Systematic understanding of the mechanism and effects of Arctigenin attenuates inflammation in dextran sulfate sodium-induced acute colitis through suppression of NLRP3 inflammasome by SIRT1. Am J Transl Res. 2019 Jul 15;11(7):3992-4009. PMID: 31396314; PMCID: PMC6684881. 2. Zhang T, Huang W, Ma Y. Down-regulation of TRPM2 attenuates hepatic ischemia/reperfusion injury through activation of autophagy and inhibition of NLRP3 inflammasome pathway. Int Immunopharmacol. 2022 Mar;104:108443. doi: 10.1016/j.intimp.2021.108443. Epub 2022 Jan 10. PMID: 35021129. 3. Wang Y, Song B, Chen J, Cao J, Li X, Sun C. Polymethoxyflavones in Citrus Regulate Lipopolysaccharide-Induced Oscillating Decay of Circadian Rhythm Genes by Inhibiting Nlrp3 Expression. Oxid Med Cell Longev. 2021 Sep 14;2021:8419415. doi: 10.1155/2021/8419415. PMID: 34567414; PMCID: PMC8457985.

In vitro protocol:

In vivo protocol:

1. Zhang T, Huang W, Ma Y. Down-regulation of TRPM2 attenuates hepatic ischemia/reperfusion injury through activation of autophagy and inhibition of NLRP3 inflammasome pathway. Int Immunopharmacol. 2022 Mar;104:108443. doi: 10.1016/j.intimp.2021.108443. Epub 2022 Jan 10. PMID: 35021129. 2. Wang Y, Song B, Chen J, Cao J, Li X, Sun C. Polymethoxyflavones in Citrus Regulate Lipopolysaccharide-Induced Oscillating Decay of Circadian Rhythm Genes by Inhibiting Nlrp3 Expression. Oxid Med Cell Longev. 2021 Sep 14;2021:8419415. doi: 10.1155/2021/8419415. PMID: 34567414; PMCID: PMC8457985.

1: Cocco M, Pellegrini C, Martínez-Banaclocha H, Giorgis M, Marini E, Costale A, Miglio G, Fornai M, Antonioli L, López-Castejón G, Tapia-Abellán A, Angosto D, Hafner-Bratkovič I, Regazzoni L, Blandizzi C, Pelegrín P, Bertinaria M. Development of an Acrylate Derivative Targeting the NLRP3 Inflammasome for the Treatment of Inflammatory Bowel Disease. J Med Chem. 2017 Apr 24. doi: 10.1021/acs.jmedchem.6b01624. [Epub ahead of print] PubMed PMID: 28410442.