PE 154 - ≥97%(HPLC) , CAS No.1192750-33-6

CAS: 1192750-33-6 Cat. No.: P287589 Fórmula: C₃₅H₃₅N₅O₄ Peso molecular: 589.68 PubChem CID: 135870290

GRADE & PURITY ≥97%(HPLC)

Synonyms

(1Z,N'E)-2-(4-((((E)-(7-(dietilamino)-2,4-dioxocroman-3-ilideno)metil)amino)fenil)-N'-(1,2,3,4-tetrahidroacridina-9(10H)-ilideno)acetohidrazónico | Ácido 4-[[[[7-(dietilamino)-2,4-dioxo-2H-1-benzopirano-3(4H)-ilideno]metil]amino]-benzenoacético 2-(1,2

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Descrição do produto：

PE154 (Composto 13) é um potente inibidor fluorescente da acetilcolinesterase humana (AChE) e butirilcolinesterase (BChE) (IC50s = 280 pM e 16 nM, respetivamente) [1]. O PE154 pode marcar placas β-amilóides em análises histoquímicas.

Specifications

Sinónimos

(1Z,N'E)-2-(4-((((E)-(7-(dietilamino)-2,4-dioxocroman-3-ilideno)metil)amino)fenil)-N'-(1,2,3,4-tetrahidroacridina-9(10H)-ilideno)acetohidrazónico | Ácido 4-[[[[7-(dietilamino)-2,4-dioxo-2H-1-benzopirano-3(4H)-ilideno]metil]amino]-benzenoacético 2-(1,2

Especificações e pureza

≥97%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potente inibidor fluorescente da acetilcolinesterase (AChE) e da butirilcolinesterase (BChE) humanas (os valores IC50 são 280 pM e 16 nM, respetivamente). Tem como alvo e rotula as placas β-amilóides em análises histoquímicas.

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Pureza

≥97%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504773447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773447
• Sorrisos canónicos: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=NC3=CC=C(C=C3)CC(=O)NNC4=C5CCCCC5=NC6=CC=CC=C64)O
• IUPAC Name: 2-[4-[[7-(diethylamino)-4-hydroxy-2-oxochromen-3-yl]methylideneamino]phenyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)acetohydrazide
• InChIKey: RSKDYQUBLFFWPM-UHFFFAOYSA-N
• INCHI: 1S/C35H35N5O4/c1-3-40(4-2)24-17-18-27-31(20-24)44-35(43)28(34(27)42)21-36-23-15-13-22(14-16-23)19-32(41)38-39-33-25-9-5-7-11-29(25)37-30-12-8-6-10-26(30)33/h5,7,9,11,13-18,20-21,42H,3-4,6,8,10,12,19H2,1-2H3,(H,37,39)(H,38,41)
• WGK Alemanha: 3
• PubChem CID: 135870290
• Peso molecular: 589.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: 4-hydroxycoumarins Phenylacetamides 1-benzopyrans Polyhalopyridines Dialkylarylamines Pyranones and derivatives Methylpyridines Fatty acid esters 2-halopyridines Vinylogous acids Secondary ketimines Heteroaromatic compounds Enol esters Enoate esters Trialkylamines Lactones Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Enamines Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Hydroxycoumarin - 4-hydroxycoumarin - Coumarin - 1-benzopyran - Phenylacetamide - Benzopyran - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Methylpyridine - Pyranone - Fatty acid ester - Fatty acyl - Benzenoid - Pyridine - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary ketimine - Enol ester - Tertiary aliphatic amine - Tertiary amine - Lactone - Ketimine - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 29.48, Max Conc. mM: 50
• Peso molecular: 589.700 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 589.269 Da
• Monoisotopic Mass: 589.269 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1070.000
• 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