STING agonist-16 , CAS No.652142-94-4

CAS: 652142-94-4 Cat. No.: S651203 Molecular Weight: 396.23 PubChem CID: 1002560

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Overview

STING agonist-16 (1a) is a specific stimulator of interferon genes ( STING ) agonist. STING agonist-16 (1a) can be used as a potential antiviral and antitumor tool.

In Vitro

STING agonist-16 (1a) (0-100 μM, 6 h) can promote mRNA expression of IFNβ, CXCL-10 and IL-6 in a dose-dependent manner with no significant cytotoxic effect up to 100 μM in human myeloid leukemia mononuclear cells (THP1). STING agonist-16 (1a) (50 μM, 2 h) significantly induces the phosphorylation of STING, TANK-binding kinases1 (TBK1) and interferon regulatory factor 3 (IRF3) in THP1 cells. STING agonist-16 (1a) activates secretory alkaline phosphatase (SEAP) in a dose-dependent manner with an EC 50 value of 16.77 μM while 2'3'-cGAMP acts with an EC 50 value of 9.212 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Biochemical and Physiological Mechanisms

STING agonist-16 (1a) is a specific stimulator of interferon genes ( STING ) agonist. STING agonist-16 (1a) can be used as a potential antiviral and antitumor tool.

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.

Names and Identifiers

• Canonical Smiles: COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=NN=C4N3C5=CC=CC=C5N=C4Cl
• IUPAC Name: 4-chloro-1-(2-chloro-6-methoxyquinolin-3-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
• InChIKey: ABGPUQXRCXUIFE-UHFFFAOYSA-N
• INCHI: 1S/C19H11Cl2N5O/c1-27-11-6-7-13-10(8-11)9-12(16(20)22-13)18-24-25-19-17(21)23-14-4-2-3-5-15(14)26(18)19/h2-9H,1H3
• Isomeric SMILES: COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=NN=C4N3C5=CC=CC=C5N=C4Cl
• PubChem CID: 1002560
• Molecular Weight: 396.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridyl-1,2,4-triazoles Quinoxalines Anisoles Alkyl aryl ethers 2-halopyridines Pyrazines Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Pyridyl-1,2,4-triazole - Pyridyltriazole - Diazanaphthalene - Quinoxaline - Anisole - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Pyrazine - Pyridine - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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