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

CAS: 702662-50-8 Cat. No.: G276432 Fórmula: C₂₁H₁₆ClFN₂O₃S Peso molecular: 430.88 Número CE: 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

Visão geral

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

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504763214

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763214

Sorrisos canónicos

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)

SMILES isoméricas

C1C(=O)N(C2=C(S1)C=CC(=C2)C(=O)NCC3=CC=CO3)CC4=C(C=CC=C4Cl)F

Termos 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
    • Classe Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 702662-50-8, the molecular formula is C21H16ClFN2O3S, and the molecular weight is 430.88 g/mol. InChIKey NAGKYJATVFXZKN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.