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

CAS: 702662-50-8 Cat. No.: G276432 Peso molecular: 430.88 Número EC: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763214
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763214
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F
• Términos de entrada MeSH: 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
• Peso molecular: 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
    • Clase Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

Venezuelan equine encephalitis virus (381 Activities)

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

Chikungunya virus (1339 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100mM and\xa0in ethanol to 50 mM.DMSO：63 mg/mL (146.21 mM)；Water；(Insoluble)；Ethanol；(Insoluble)
• Peso molecular: 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