AC 55541 - Moligand™, ≥98% , Agonist of PAR2, CAS No.916170-19-9, Agonist of PAR2

CAS: 916170-19-9 Cat. No.: A275204 Formula: C₂₅H₂₀BrN₅O₃ Peso molecolare: 518.4 PubChem CID: 9589606

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL5063305 | AC55541 | AC-55541 | AKOS024457586 | N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | (E)-N-(2-(2-(1-(3-bromophenyl)ethylidene)hydrazinyl)-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)

Storage

Al riparo dalla luce, conservare a -20°C, essiccato

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

Spedito a 4°C. Conservare a -20°C. Conservare al buio. Conservare in condizioni di essiccazione.

Specifications

Sinonimi

SCHEMBL5063305 | AC55541 | AC-55541 | AKOS024457586 | N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide | (E)-N-(2-(2-(1-(3-bromophenyl)ethylidene)hydrazinyl)-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Agonista potente e selettivo del recettore 2 attivato dalla proteasi (PAR 2 ) che non mostra alcuna attività su altri sottotipi di PAR o su oltre 30 altri recettori coinvolti nella nocicezione e nell'infiammazione.

Condizioni di conservazione di stoccaggio

Al riparo dalla luce, conservare a -20°C, essiccato

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Agonist of PAR2

Nota

Per quanto possibile, si consiglia di preparare e utilizzare le soluzioni lo stesso giorno. Tuttavia, se è necessario preparare in anticipo le soluzioni di riserva, si consiglia di conservarle in aliquote in fiale ben chiuse a -20°C. In genere, queste possono essere utilizzate per un mese. In genere, queste soluzioni sono utilizzabili fino a un mese. Prima dell'uso e dell'apertura della fiala, si consiglia di lasciare che il prodotto si equilibri a temperatura ambiente per almeno 1 ora. Avete bisogno di ulteriori consigli su solubilità, uso e manipolazione? Per ulteriori informazioni, visitare la pagina delle domande frequenti (FAQ).

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528763016
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528763016
• Sorrisi canonici: CC(=NNC(=O)C(C1=NNC(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)Br
• IUPAC Name: N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
• InChIKey: UCUHFWIFSHROPY-RWPZCVJISA-N
• INCHI: 1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
• Isomeri SMILES: C/C(=N\NC(=O)C(C1=NNC(=O)C2=CC=CC=C21)NC(=O)C3=CC=CC=C3)/C4=CC(=CC=C4)Br
• CAS alternativo: 916170-19-9
• PubChem CID: 9589606
• Peso molecolare: 518.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Hippuric acids and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Phthalazinones Benzoyl derivatives Pyridazinones Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Phthalazinone - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phthalazine - Benzoyl - Halobenzene - Bromobenzene - Pyridazinone - Aryl bromide - Aryl halide - Pyridazine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
• 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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO to 50 mM
• Peso molecolare: 518.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 517.075 Da
• Monoisotopic Mass: 517.075 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 838.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1