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

CAS: 314054-00-7 Cat. No.: C288157 Summenformel: C₁₁H₇IN₂O₄ Molekulargewicht: 358.09 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%(HPLC)

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥97%(HPLC)

Namen und Kennungen

Pubchem Sid

504760389

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Furanilides
            • Ebene7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 35.81, Max Conc. mM: 100
• Molekulargewicht: 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