AG-09/1 - Moligand™, ≥99% , CAS No.356776-32-4

CAS: 356776-32-4 Cat. No.: A648518 Fórmula: C₁₆H₁₄N₄O₄S Peso molecular: 358.37 Número CE: 664-436-9 PubChem CID: 3901842

GRADE & PURITY Moligand™, ≥99%

Synonyms

Oprea1_271148 | DTXSID50397856 | AG-09/1 | 2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide | 2-[(5-METHOXY-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]-N-(4-NITROPHENYL)ACETAMIDE | STK354841 | AKOS000830684 | GTPL5833 | ST024252 | Q27074329 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AG-09/1 is a specific formyl peptide receptor 1 ( FPR1 ) agonist. N-formyl peptide receptors (FPR) are important in host defense

In Vitro

N-formyl peptides activate phagocytes through G protein-coupled receptors known as FPR. FPR1 was the first FPR cloned and encodes a high-affinity receptor for fMLF. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:FPR1

Specifications

Sinónimos

Oprea1_271148 | DTXSID50397856 | AG-09/1 | 2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide | 2-[(5-METHOXY-1H-1,3-BENZODIAZOL-2-YL)SULFANYL]-N-(4-NITROPHENYL)ACETAMIDE | STK354841 | AKOS000830684 | GTPL5833 | ST024252 | Q27074329 |

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e fisiológicos

AG-09/1 is a specific formyl peptide receptor 1 ( FPR1 ) agonist. N-formyl peptide receptors (FPR) are important in host defense.

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

≥99%

Nomes e identificadores

• Sorrisos canónicos: COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
• InChIKey: LYQDSNOFTIZWAX-UHFFFAOYSA-N
• INCHI: 1S/C16H14N4O4S/c1-24-12-6-7-13-14(8-12)19-16(18-13)25-9-15(21)17-10-2-4-11(5-3-10)20(22)23/h2-8H,9H2,1H3,(H,17,21)(H,18,19)
• SMILES isoméricas: COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• WGK Alemanha: 1
• PubChem CID: 3901842
• Peso molecular: 358.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Anilides Nitrobenzenes Anisoles Nitroaromatic compounds N-arylamides Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitrobenzene - Anilide - Benzimidazole - Anisole - Phenol ether - N-arylamide - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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 (humanos)

FPR1 Tchem fMet-Leu-Phe receptor (1 Activities)

Discover Target: FPR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 250 mg/mL (697.60 mM; Need ultrasonic)
• Peso molecular: 358.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 358.074 Da
• Monoisotopic Mass: 358.074 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 481.000
• 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