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MedKoo Cat#: 561732 | Name: NLRP3-IN-9
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Description:

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

NLRP3-IN-9 is an inhibitor of caspase-1 and NLRP3 ATPase activities. It acts by irreversibly trapping thiol nucleophiles, which prevents both ATP- and nigericin-triggered pyroptosis of human THP-1 cells in a time- and concentration-dependent manner.

Chemical Structure

NLRP3-IN-9
CAS#88039-46-7

Theoretical Analysis

MedKoo Cat#: 561732

Name: NLRP3-IN-9

CAS#: 88039-46-7

Chemical Formula: C12H13ClO3

Exact Mass: 240.0553

Molecular Weight: 240.68

Elemental Analysis: C, 59.88; H, 5.44; Cl, 14.73; O, 19.94

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 1,950.00 2 Weeks
500mg USD 2,950.00 2 Weeks
1g USD 4,250.00 2 Weeks
2g USD 6,950.00 2 Weeks
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Related CAS #
88039-46-7
Synonym
NLRP3-IN-9; NLRP3 IN 9; NLRP3IN9; INF-4E; INF 4E; INF4E;
IUPAC/Chemical Name
Ethyl 2[(2-chlorophenyl)(hydroxy)methyl]acrylate
InChi Key
BSRPDXCMAOIUOO-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H13ClO3/c1-3-16-12(15)8(2)11(14)9-6-4-5-7-10(9)13/h4-7,11,14H,2-3H2,1H3
SMILES Code
C=C(C(C1=CC=CC=C1Cl)O)C(OCC)=O
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
Product Data
Product Data
Instruction
View handling instruction
Biological target:
INF4E is a potent NLRP3 inflammasome inhibitor. INF4E inhibits caspase-1 and NLRP3 ATPase activities.
In vitro activity:
TBD
In vivo activity:
Isolated hearts from male Wistar rats (5-6 months old) underwent ischemia (30 min) followed by reperfusion (20 or 60 min) with and without pretreatment with the recently synthetized NLRP3 inflammasome inhibitor INF4E (50 μM, 20 min before ischemia). INF4E exerted protection against myocardial IR, shown by a significant reduction in infarct size and lactate dehydrogenase release and improvement in postischemic left ventricular pressure. The formation of the NLRP3 inflammasome complex was induced by myocardial IR and attenuated by INF4E in a time-dependent way. Reference: Oxid Med Cell Longev. 2016;2016:5271251. https://pubmed.ncbi.nlm.nih.gov/28053692/
Solvent mg/mL mM comments
Solubility
DMSO 100.0 415.48
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 240.68 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:
Mastrocola R, Penna C, Tullio F, Femminò S, Nigro D, Chiazza F, Serpe L, Collotta D, Alloatti G, Cocco M, Bertinaria M, Pagliaro P, Aragno M, Collino M. Pharmacological Inhibition of NLRP3 Inflammasome Attenuates Myocardial Ischemia/Reperfusion Injury by Activation of RISK and Mitochondrial Pathways. Oxid Med Cell Longev. 2016;2016:5271251. doi: 10.1155/2016/5271251. Epub 2016 Dec 8. PMID: 28053692; PMCID: PMC5178375.
In vitro protocol:
TBD
In vivo protocol:
Mastrocola R, Penna C, Tullio F, Femminò S, Nigro D, Chiazza F, Serpe L, Collotta D, Alloatti G, Cocco M, Bertinaria M, Pagliaro P, Aragno M, Collino M. Pharmacological Inhibition of NLRP3 Inflammasome Attenuates Myocardial Ischemia/Reperfusion Injury by Activation of RISK and Mitochondrial Pathways. Oxid Med Cell Longev. 2016;2016:5271251. doi: 10.1155/2016/5271251. Epub 2016 Dec 8. PMID: 28053692; PMCID: PMC5178375.
1: Cocco M, Garella D, Di Stilo A, Borretto E, Stevanato L, Giorgis M, Marini E, Fantozzi R, Miglio G, Bertinaria M. Electrophilic warhead-based design of compounds preventing NLRP3 inflammasome-dependent pyroptosis. J Med Chem. 2014 Dec 26;57(24):10366-82. doi: 10.1021/jm501072b. Epub 2014 Dec 4. PubMed PMID: 25418070.