C 176 - ≥97%(HPLC) , CAS No.314054-00-7

CAS: 314054-00-7 Cat. No.: C288157 Formule: C₁₁H₇IN₂O₄ Poids moléculaire: 358.09 Numéro CE: 960-133-3

GRADE & PURITY ≥97%(HPLC)

Synonyms

C-176, Sting inhibitor 1, Sting inhibitor C-176, N-(4-Iodophenyl)-5-nitro-2-furancarboxamide, N-(4-Iodophenyl)-5-nitrofuran-2-carboxamide, C176

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

C-176, Sting inhibitor 1, Sting inhibitor C-176, N-(4-Iodophenyl)-5-nitro-2-furancarboxamide, N-(4-Iodophenyl)-5-nitrofuran-2-carboxamide, C176

Spécifications et pureté

≥97%(HPLC)

Mécanismes biochimiques et physiologiques

mSTING antagonist. Covalently binds Cys91 of mouse but not human STING. Blocks activation-induced palmitoylation of STING and formation of STING clusters. ReducesCMA-induced increase in serum IFNsin vivoand suppresses systemic inflammation in a mouse infl

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥97%(HPLC)

Noms et identifiants

Pubchem Sid

504760389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760389

Sourires canoniques

C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I

IUPAC Name

N-(4-iodophenyl)-5-nitrofuran-2-carboxamide

InChIKey

JBIKQXOZLBLMKI-UHFFFAOYSA-N

INCHI

1S/C11H7IN2O4/c12-7-1-3-8(4-2-7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)

Isomères SMILES

C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])I

Poids moléculaire

358.09

Reaxy-Rn

10548659

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10548659&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: 2-heteroaryl carboxamides Furoic acid and derivatives Nitroaromatic compounds Nitrofurans Iodobenzenes Aryl iodides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organoiodides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - 2-heteroaryl carboxamide - 2-nitrofuran - Furoic acid or derivatives - Nitroaromatic compound - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Heteroaromatic compound - Furan - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 35.81, Max Conc. mM: 100
• Poids moléculaire: 358.090 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 357.945 Da
• Monoisotopic Mass: 357.945 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 325.000
• 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