INF39
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 530591

CAS#: 866028-26-4

Description: 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

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INF39
CAS# 866028-26-4

Theoretical Analysis

MedKoo Cat#: 530591
Name: INF39
CAS#: 866028-26-4
Chemical Formula: C12H13ClO2
Exact Mass: 224.06
Molecular Weight: 224.684
Elemental Analysis: C, 64.15; H, 5.83; Cl, 15.78; O, 14.24

Price and Availability

Size Price Availability Quantity
10mg USD 250 2 Weeks
25mg USD 450 2 Weeks
500mg USD 2450 2 Weeks
1g USD 3250 2 Weeks
2g USD 5850 2 Weeks
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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:
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/

Solubility Data

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

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.

Recalculate based on batch purity %
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: 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.
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.

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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.