STING agonist-1 - Moligand™, ≥98% , CAS No.702662-50-8

CAS: 702662-50-8 Cat. No.: G276432 Molecular Weight: 430.88 EC Number: 100-775-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

G104-[(2-Chloro-6-fluorophenyl)methyl]-N-(2-furanylmethyl)-3,4-dihydro-3-oxo-2H-1,4-benzothiazine-6-carboxamide | G10

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Shipped at 4°C. Store at -20°C long term.

Specifications

Synonyms

G104-[(2-Chloro-6-fluorophenyl)methyl]-N-(2-furanylmethyl)-3, 4-dihydro-3-oxo-2H-1, 4-benzothiazine-6-carboxamide | G10

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

G10 is an indirect activator or stimulator of interferon genes (STING) signaling. It induces transcription of genes dependent on IRF3 and IFN, which are activated by STING, but has no effect on non-STING activated NF-κB-dependent transcription of IL-8, IL

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.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763214
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763214
• Canonical Smiles: C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F
• IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
• InChIKey: NAGKYJATVFXZKN-UHFFFAOYSA-N
• INCHI: 1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)
• Isomeric SMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F
• MeSH Entry Terms: 4-(2-chloro-6-fluorobenzyl)-N-(furan-2-ylmethyl)-3-oxo-3,4-dihydro-2H-benzo(b)(1,4)thiazine-6-carboxamide;human-specific STING agonist G10
• Molecular Weight: 430.88
• Reaxy-Rn: 30430325
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30430325&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazines
• Alternative Parents: Alkylarylthioethers Chlorobenzenes Fluorobenzenes 1,4-thiazines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Furans Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzothiazine - Aryl thioether - Alkylarylthioether - Chlorobenzene - Fluorobenzene - Halobenzene - Para-thiazine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Carboxamide group - Secondary carboxylic acid amide - Lactam - Thioether - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Associated Targets(non-human)

Venezuelan equine encephalitis virus (381 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Chikungunya virus (1339 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100mM and\xa0in ethanol to 50 mM.DMSO：63 mg/mL (146.21 mM)；Water；(Insoluble)；Ethanol；(Insoluble)
• Molecular Weight: 430.900 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 430.055 Da
• Monoisotopic Mass: 430.055 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 612.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1