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1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE, also known as 1-[4-(Methylthio)phenyl]-1,4-pentanedione, is an organic compound that serves as a crucial intermediate in the synthesis of various chemical compounds. It is characterized by its unique molecular structure, which features a methylsulfanylphenyl group attached to a 1,4-pentanedione backbone. 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE plays a significant role in the pharmaceutical industry due to its ability to be transformed into a range of therapeutically relevant molecules.

189501-33-5

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189501-33-5 Usage

Uses

Used in Pharmaceutical Industry:
1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE is used as an intermediate for the synthesis of a class of pyrrole derivatives with analgesic and anti-inflammatory properties. These derivatives, such as Saroglitazar (S141650), are valuable in the development of medications for the treatment of pain and inflammation.
Application Reason:
The compound's unique structure allows for the creation of pyrrole derivatives that possess potent analgesic and anti-inflammatory effects. These properties make them suitable for the development of new drugs to address various medical conditions characterized by pain and inflammation.

Check Digit Verification of cas no

The CAS Registry Mumber 189501-33-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,9,5,0 and 1 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 189501-33:
(8*1)+(7*8)+(6*9)+(5*5)+(4*0)+(3*1)+(2*3)+(1*3)=155
155 % 10 = 5
So 189501-33-5 is a valid CAS Registry Number.

189501-33-5SDS

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 1-(4-methylsulfanylphenyl)pentane-1,4-dione

1.2 Other means of identification

Product number -
Other names 1-[4-(methylsulfanyl)phenyl]-1,4-pentanedione

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:189501-33-5 SDS

189501-33-5Downstream Products

189501-33-5Relevant academic research and scientific papers

A fluorescent target-guided Paal-Knorr reaction

Kornienko, Alexander,La Clair, James J.,Maslivetc, Vladimir,Wagh, Sachin B.

, p. 37035 - 37039 (2020/10/19)

It has become increasingly apparent that high-diversity chemical reactions play a significant role in the discovery of bioactive small molecules. Here, we describe an expanse of this paradigm, combining a ‘target-guided synthesis’ concept with Paal-Knorr chemistry applied to the preparation of fluorescent ligands for human prostaglandin-endoperoxide synthase (COX-2).

AN IMPROVED PROCESS FOR THE PREPARATION OF PYRROLE DERIVATIVES

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Page/Page column 37; 38, (2015/03/28)

The present invention relates to an improved process for the preparation of pyrroles derivatives having hypolipidemic and hypocholesteremic activities. In particular, the invention relates to an improved process for the preparation of 2- ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-1-yl)ethoxy) phenyl)propanoate and its pharmaceutically acceptable salts, hydrates, solvates, polymorphs or intermediates thereof. The invention also relates to an improved process for the preparation of mesylate compound (A1).

A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES

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Page/Page column 30; 31, (2015/01/06)

The present invention provides pyrroles having hypolipidemic hypocholesteremic activities. The invention provides saroglitazar and its pharmaceutically acceptable salts, hydrates, solvates, polymorphs or intermediates thereof. The invention also provides a process for the preparation of saroglitazar. The invention further provides intermediates as well process for preparation thereof.

A class of pyrrole derivatives endowed with analgesic/anti-inflammatory activity

Battilocchio, Claudio,Poce, Giovanna,Alfonso, Salvatore,Porretta, Giulio Cesare,Consalvi, Sara,Sautebin, Lidia,Pace, Simona,Rossi, Antonietta,Ghelardini, Carla,Di Cesare Mannelli, Lorenzo,Schenone, Silvia,Giordani, Antonio,Di Francesco, Luigia,Patrignani, Paola,Biava, Mariangela

, p. 3695 - 3701 (2013/07/25)

We report the synthesis and bio-pharmacological evaluation of a class of pyrrole derivatives featuring a small appendage fragment (carbaldehyde, oxime, nitrile) on the central core. Compound 1c proved to be extremely effective in vivo, showing an interesting anti-nociceptic profile that is comparable to reference compounds already marketed, hence representing a great stimulus for a further improvement of this class of molecules.

Improving the solubility of a new class of antiinflammatory pharmacodynamic hybrids, that release nitric oxide and inhibit cycloxygenase-2 isoenzyme

Biava, Mariangela,Battilocchio, Claudio,Poce, Giovanna,Alfonso, Salvatore,Consalvi, Sara,Porretta, Giulio Cesare,Schenone, Silvia,Calderone, Vincenzo,Martelli, Alma,Testai, Lara,Ghelardini, Carla,Di Cesare Mannelli, Lorenzo,Sautebin, Lidia,Rossi, Antonietta,Giordani, Antonio,Patrignani, Paola,Anzini, Maurizio

, p. 287 - 298 (2013/02/23)

The development of a novel class of pharmacodynamic hybrids that inhibits COX-2 isoform is reported. These molecules display enhanced nitric oxide releasing properties due to the presence of an ionisable moiety. The in vivo analgesic/anti-inflammatory activity was maintained in relation to the parent compounds.

Novel analgesic/anti-inflammatory agents: Diarylpyrrole acetic esters endowed with nitric oxide releasing properties

Biava, Mariangela,Porretta, Giulio Cesare,Poce, Giovanna,Battilocchio, Claudio,Alfonso, Salvatore,Rovini, Michele,Valenti, Salvatore,Giorgi, Gianluca,Calderone, Vincenzo,Martelli, Alma,Testai, Lara,Sautebin, Lidia,Rossi, Antonietta,Papa, Giuseppina,Ghelardini, Carla,Di Cesare Mannelli, Lorenzo,Giordani, Antonio,Anzellotti, Paola,Bruno, Annalisa,Patrignani, Paola,Anzini, Maurizio

experimental part, p. 7759 - 7771 (2012/01/03)

The design of compounds that are able to inhibit cyclooxygenase (COX) and to release nitric oxide (NO) should give rise to drugs endowed with an overall safer profile for the gastrointestinal and cardiovascular systems. Herein we report a new class of pyrrole-derived nitrooxy esters (11a-j), cyclooxygenase-2 (COX-2) selective inhibitors endowed with NO releasing properties, with the goal of generating new molecules able to both strongly inhibit this isoform and reduce the related adverse side effects. Taking into account the metabolic conversion of nitrooxy esters into corresponding alcohols, we also studied derivatives 12a-j. All compounds proved to be very potent and selective COX-2 inhibitors; nitrooxy derivatives displayed interesting ex vivo NO-dependent vasorelaxing properties. Compounds 11c, 11d, 12c, and 12d were selected for further in vivo studies that highlited good anti-inflammatory and antinociceptive activities. Finally, two selected compounds (11c and 12c) tested in human whole blood (HWB) assay proved to be preferential inhibitors of COX-2.

Identification of a novel pyrrole derivative endowed with antimycobacterial activity and protection index comparable to that of the current antitubercular drugs streptomycin and rifampin

Biava, Mariangela,Porretta, Giulio Cesare,Poce, Giovanna,Battilocchio, Claudio,Alfonso, Salvatore,Logu, Alessandro De,Serra, Nadia,Manetti, Fabrizio,Botta, Maurizio

experimental part, p. 8076 - 8084 (2011/01/13)

A hit optimization procedure based on isosteric and bioisosteric replacement of decorating groups at both the N1 and the C5 phenyl rings of 1,5-diarylpyrroles led to identification of 4-((1-(4-fluorophenyl)-2-methyl-5- (4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine that is characterized by a very high activity toward both Mycobacterium tuberculosis 103471 and H37Rv strains (MIC values of 0.125 μg/mL), and a safe profile in terms of cytotoxicity (CC50 of >128 μg/mL) and protection index (>1000). Antitubercular activity and protection index of the new compound are comparable to those found for the current antitubercular drugs streptomycin and rifampin.

Novel Ester and acid derivatives of the 1,5-diarylpyrrole Scaffold as anti-inflammatory and analgesic agents. Synthesis and in vitro and in vivo biological evaluation

Biava, Mariangela,Porretta, Giulio C.,Poce, Giovanna,Battilocchio, Claudio,Manetti, Fabrizio,Botta, Maurizio,Forli, Stefano,Sautebin, Lidia,Rossi, Antonietta,Pergola, Carlo,Ghelardini, Carla,Galeotti, Nicoletta,Makovec, Francesco,Giordani, Antonio,Anzellotti, Paola,Patrignani, Paola,Anzini, Maurizio

experimental part, p. 723 - 733 (2010/07/09)

A new generation of selective cyclooxygenase-2 (COX-2) inhibitors (coxibs) was developed to circumvent the major side effects of cyclooxygenase-1 (COX-1) and COX-2 inhibitors (stomach ulceration and nephrotoxicity). As a consequence, coxibs are extremely valuable in treating acute and chronic inflammatory conditions. However, the use of coxibs, such as rofecoxib (Vioxx), was discontinued because of the high risk of cardiovascular adverse events. More recent clinical findings highlighted how the cardiovascular toxicity of coxibs could be mitigated by an appropriate COX-1 versus COX-2 selectivity. We previously reported a set of substituted 1,5-diarylpyrrole derivatives, selective for COX-2. Here, we describe the synthesis of new1,5-diarylpyrroles along with their inhibitory effects in vitro, ex vivo, and in vivo toward COX isoenzymes and their analgesic activity. Isopropyl-2-methyl-5-[4- (methylsulfonyl)phenyl]-1-phenyl-1H-pyrrole-3-acetate (10a), a representative member of the series, was selected for pharmacokinetic and metabolic studies. 2009 American Chemical Society.

A concise enantioselective synthesis of (+)-febrifugine

Emmanuvel, Lourdusamy,Kamble, Dayanand A.,Sudalai, Arumugam

experimental part, p. 84 - 88 (2009/06/06)

A short enantioselective synthesis of (+)-febrifugine, a potent antimalarial alkaloid, has been described based on the regioselective asymmetric dihydroxylation of a 1,4-dienic ester as the key step. The strategy also involves chemoselective [3,3]-sigmatr

Pyrrole compounds as inhibitors of mycrobacteria, synthesis thereof and intermediates thereto

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Page/Page column 11, (2009/04/23)

The present invention relates to a compound having the general formula 3: synthesis, intermediates and uses thereof.

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