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

CAS: 1192750-33-6 Cat. No.: P287589 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥97%(HPLC)

Biochemical and Physiological Mechanisms

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.

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.

Action Type

INHIBITOR

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504773447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773447
• Canonical Smiles: 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 Germany: 3
• PubChem CID: 135870290
• Molecular Weight: 589.68

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 29.48, Max Conc. mM: 50
• Molecular Weight: 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