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

CAS: 314054-00-7 Cat. No.: C288157 분자식: C₁₁H₇IN₂O₄ 분자량: 358.09 EC 번호: 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

동의어

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

사양 및 순도

≥97%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥97%(HPLC)

이름과 식별자

Pubchem Sid

504760389

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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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HEK-293T (167025 Activities)

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관련 대상(비인간)

RAW264.7 (28094 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 35.81, Max Conc. mM: 100
• 분자량: 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