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-(diethylamino)-2,4-dioxochroman-3-ylidene)methyl)amino)phenyl)-N'-(1,2,3,4-tetrahydroacridin-9(10H)-ylidene)acetohydrazonic acid | 4-[[[7-(Diethylamino)-2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene]methyl]amino]-benzeneacetic acid 2-(1,2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product description：

PE154 (Compound 13) is a potent fluorescent inhibitor of human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) (IC50s=280 pM and 16 nM, respectively)[1]. PE154 can label β-amyloid plaques in histochemical analysis. 

Specifications

Sinónimos

(1Z,N'E)-2-(4-(((E)-(7-(diethylamino)-2,4-dioxochroman-3-ylidene)methyl)amino)phenyl)-N'-(1,2,3,4-tetrahydroacridin-9(10H)-ylidene)acetohydrazonic acid | 4-[[[7-(Diethylamino)-2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene]methyl]amino]-benzeneacetic acid 2-(1,2

Especificações e pureza

≥97%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent fluorescent inhibitor of human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) (IC50values are 280 pM and 16 nM respectively). Targets and labelsβ-amyloid plaques in histochemical analysis.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

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