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2-Heptyl-1,4-dihydro-4-oxo-3-quinolinecarboxaldehyde, commonly known as Emodin, is a yellow crystalline chemical compound with the molecular formula C17H17NO3. It is characterized by a slightly bitter taste and is naturally found in various plant sources such as rhubarb, buckthorn, and Japanese knotweed. Emodin has been the subject of research for its potential antimicrobial, antioxidant, and anti-inflammatory properties, and has a long history of use in traditional medicine. Additionally, it serves as a precursor in the synthesis of pharmaceuticals and other bioactive compounds, although further research is required to fully elucidate its potential applications and safety profile.

402718-53-0

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402718-53-0 Usage

Uses

Used in Pharmaceutical Industry:
Emodin is utilized as a precursor in the synthesis of various pharmaceuticals and bioactive compounds, contributing to the development of new drugs and therapeutic agents.
Used in Traditional Medicine:
Emodin has been employed in traditional medicine for its potential antimicrobial, antioxidant, and anti-inflammatory properties, supporting the treatment of various ailments and conditions.
Used in Antimicrobial Applications:
As an antimicrobial agent, Emodin is used to combat various microorganisms, including bacteria and fungi, due to its ability to inhibit their growth and proliferation.
Used in Antioxidant Applications:
Emodin serves as an antioxidant, protecting cells from oxidative stress and damage caused by reactive oxygen species, thereby contributing to the maintenance of cellular health and function.
Used in Anti-inflammatory Applications:
With its anti-inflammatory properties, Emodin is used to reduce inflammation and alleviate symptoms associated with inflammatory conditions, promoting overall health and well-being.

Check Digit Verification of cas no

The CAS Registry Mumber 402718-53-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,0,2,7,1 and 8 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 402718-53:
(8*4)+(7*0)+(6*2)+(5*7)+(4*1)+(3*8)+(2*5)+(1*3)=120
120 % 10 = 0
So 402718-53-0 is a valid CAS Registry Number.

402718-53-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-heptyl-4-oxo-1H-quinoline-3-carbaldehyde

1.2 Other means of identification

Product number -
Other names 3-formyl-2-heptyl-4-quinolone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:402718-53-0 SDS

402718-53-0Downstream Products

402718-53-0Relevant academic research and scientific papers

Synthetic quinolone signal analogues inhibiting the virulence factor elastase of Pseudomonas aeruginosa

Szamosvári, Dávid,Reichle, Valentin F.,Jureschi, Monica,B?ttcher, Thomas

, p. 13440 - 13443 (2016/11/19)

We explore the chemical space of Pseudomonas quinolone signal analogs as privileged structures and report the discovery of a thioquinolone as a potent inhibitor of the important virulence factor elastase of the human pathogen Pseudomonas aeruginosa. We provide evidence that the derivative binds to the active site zinc of elastase and additionally acts as a fluorescent zinc sensor.

Structure-function analysis of the C-3 position in analogues of microbial behavioural modulators HHQ and PQS

Reen, F. Jerry,Clarke, Sarah L.,Legendre, Claire,McSweeney, Christina M.,Eccles, Kevin S.,Lawrence, Simon E.,O'Gara, Fergal,McGlacken, Gerard P.

supporting information, p. 8903 - 8910 (2013/01/15)

2-Heptyl-3-hydroxy-4-quinolone (PQS) and its precursor 2-heptyl-4-quinolone (HHQ) are key signalling molecules of the important nosocomial pathogen Pseudomonas aeruginosa. We have recently reported an interkingdom dimension to these molecules, influencing key virulence traits in a broad spectrum of microbial species and in the human pathogenic yeast Candida albicans. For the first time, targeted chemical derivatisation of the C-3 position was undertaken to investigate the structural and molecular properties underpinning the biological activity of these compounds in P. aeruginosa, and using Bacillus subtilis as a suitable model system for investigating modulation of interspecies behaviour.

Synthesis of 3-halo-analogues of HHQ, subsequent cross-coupling and first crystal structure of Pseudomonas quinolone signal (PQS)

McGlacken, Gerard P.,McSweeney, Christina M.,O'Brien, Timothy,Lawrence, Simon E.,Elcoate, Curtis J.,Reen, F. Jerry,O'Gara, Fergal

scheme or table, p. 5919 - 5921 (2010/11/18)

2-Aryl- and 2-alkyl-quinolin-4-ones and their N-substituted derivatives have several important biological functions such as the Pseudomonas quinolone signal (PQS) molecule participation in quorum sensing. Herein, we report the synthesis of its biological precursor, 2-heptyl-4-hydroxy-quinoline (HHQ) and possible isosteres of PQS; the C-3 Cl, Br and I analogues. N-Methylation of the iodide was also feasible and the usefulness of this compound showcased in Pd-catalysed cross-coupling reactions, thus allowing access to a diverse set of biologically important molecules. The first crystal structure of PQS is also included.

Novel autoinducer molecules and uses therefor

-

, (2008/06/13)

Novel bacterial quinolone signal molecules and, more particularly, pseudomonas quinolone signal (“PQS”) molecules, e.g., 2-heptyl-3-hydroxy-4-quinolone, and analogs and derivatives thereof are described. Therapeutic compositions containing the molecules, and therapeutic methods, methods of for regulating gene expression, methods for identifying modulators of the autoinducer molecules, and methods of modulating quorum sensing signalling in bacteria using the compounds of the invention are also described.

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