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

CAS: 356776-32-4 Cat. No.: A648518 Formula: C₁₆H₁₄N₄O₄S Molecular Weight: 358.37 EC Number: 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

Overview

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

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 |

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• WGK Germany: 1
• PubChem CID: 3901842
• Molecular Weight: 358.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Associated Targets(Human)

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)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (697.60 mM; Need ultrasonic)
• Molecular Weight: 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