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

CAS: 356776-32-4 Cat. No.: A648518 分子式: C₁₆H₁₄N₄O₄S 分子量: 358.37 EC番号: 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

概要

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

同義語

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 |

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥99%

名前と識別子

カノニカル・スマイル

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)

異性体SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

WGKドイツ

1

PubChem CID

3901842

分子量

358.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 250 mg/mL (697.60 mM; Need ultrasonic)
• 分子量: 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