AG-09/1 - Moligand™, ≥98% , Agonist of FPR1, CAS No.356776-32-4, Agonist of FPR1

CAS: 356776-32-4 Cat. No.: A607443 Formule: C₁₆H₁₄N₄O₄S Poids moléculaire: 358.37 Numéro CE: 664-436-9 PubChem CID: 3901842

GRADE & PURITY Moligand™, ≥98%

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

Vue d’ensemble

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

Specifications

Synonymes

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 |

Spécifications et pureté

Moligand™, ≥98%

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.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of FPR1

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528763046
• Sourires canoniques: 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)
• Isomères SMILES: COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• WGK Allemagne: 1
• PubChem CID: 3901842
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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)

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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