JC-171 - ≥99% , CAS No.2112809-98-8

CAS: 2112809-98-8 Cat. No.: J648756 Molecular Weight: 384.83 PubChem CID: 134600183

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

JC-171 is a selective NLRP3 inflammasome inhibitor, with an IC 50 of 8.45 μM for inhibiting LPS/ATP-induced interleukin-1β (IL-1β) release from J774A.1 macrophages.

In Vitro

JC-171 (0-100 μM) blocks NLRP3 inflammasome activation and IL-1β production in primary macrophages dose dependently. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: J774A.1 murine macrophage cells Concentration: 0-100 μM. Incubation Time: 0.5 h (before LPS (1 μg/mL) treatment for 4.5 h). Result: Inhibited the release of IL-1β in J774A.1 cells upon stimulation with LPS/ATP.

In Vivo

JC-171 treatment delays the progression and reduces the severity of experimental autoimmune encephalomyelitis (EAE) in mouse . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Mice immunized subcutaneously with 200 μg Myelin oligodendrocyte glycoprotein (MOG) 35–55 peptide emulsified in Complete Freund’s Adjuvant (CFA) on day 0 followed by injection of 200 ng of pertussis toxin. Dosage: 100 mg/kg, 10 mg/kg. Administration: IP days 0, 1 and 2; and every other days thereafter (100 mg/kg). Initiated when the clinical scores of individual mice have reached 1 (flaccid tail), and given every other day (10 mg/kg). Result: Efficiently suppressed EAE progression compared with vehicle treatment. Resulted in a substantial decrease in the frequency of MOG 35–55 -specific Th17 cells in the spleens and spinal cords of EAE mice.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

JC-171 is a selective NLRP3 inflammasome inhibitor, with an IC 50 of 8.45 μM for inhibiting LPS/ATP-induced interleukin-1β (IL-1β) release from J774A.1 macrophages.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NO
• IUPAC Name: 5-chloro-N-[2-[4-(hydroxysulfamoyl)phenyl]ethyl]-2-methoxybenzamide
• InChIKey: KQRQPMUPYDOTCA-UHFFFAOYSA-N
• INCHI: 1S/C16H17ClN2O5S/c1-24-15-7-4-12(17)10-14(15)16(20)18-9-8-11-2-5-13(6-3-11)25(22,23)19-21/h2-7,10,19,21H,8-9H2,1H3,(H,18,20)
• Isomeric SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NO
• PubChem CID: 134600183
• Molecular Weight: 384.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers N-acyl amines Sulfonyls Organosulfonic acids and derivatives Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzenesulfonamide - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - N-acyl-amine - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (649.64 mM; Need ultrasonic)