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4-AMINO-5-(4-METHOXYBENZYL)-4H-1,2,4-TRIAZOLE-3-THIOL is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

93073-14-4

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93073-14-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 93073-14-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,3,0,7 and 3 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 93073-14:
(7*9)+(6*3)+(5*0)+(4*7)+(3*3)+(2*1)+(1*4)=124
124 % 10 = 4
So 93073-14-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H12N4OS/c1-15-8-4-2-7(3-5-8)6-9-12-13-10(16)14(9)11/h2-5H,6,11H2,1H3,(H,13,16)

93073-14-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-amino-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione

1.2 Other means of identification

Product number -
Other names 4-amino-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

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:93073-14-4 SDS

93073-14-4Relevant articles and documents

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR (CFTR) MODULATORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

-

, (2022/02/09)

This disclosure relates to compounds that are cystic fibrosis transmembrane conductance regulator (CFTR) modulators and pharmaceutical compositions containing the same. In certain embodiments, this disclosure relates to methods of managing a CFTR related

Synthesis, Antimicrobial, and Antioxidant Screening of Aryl Acetic Acid Incorporated 1,2,4-Triazolo-1,3,4-Thiadiazole Derivatives

Kamboj, Vipan Kumar,Kapoor, Archana,Jain, Sandeep

, p. 1376 - 1382 (2019/02/20)

Some novel [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives were synthesized from aryl acetic acids. All the synthesized derivatives were selected for the screening of antibacterial potential against Gram-positive bacteria [Staphylococcus aureus (MTCC 3160) and Micrococcus luteus (MTCC 1538)] and Gram-negative bacteria [Escherichia coli (MTCC 1652) and Pseudomonas aeruginosa (MTCC 424)] and antifungal potential against Aspergillus niger (MTCC 8652) and Candida albicans (MTCC 227), and free radical scavenging activity through 2,2-diphenyl-2-picrylhydrazyl hydrate method. The compounds TH-4, TH-13, and TH-19 were found to be more potent antimicrobial agents compared to standard drugs. The compounds TH-3, TH-9, and TH-18 also showed significant antimicrobial activity. The compound TH-13 showed antioxidant activity with IC50 value better than the standard compound. The structures of all the synthesized compounds were confirmed by Fourier transform infrared, 1H-NMR, liquid chromatography–mass spectrometry, and CHN analyzer.

Microwave-Assisted Synthesis, In Vivo Anti-Inflammatory and In Vitro Anti-Oxidant Activities, and Molecular Docking Study of New Substituted Schiff Base Derivatives

Hanif, Muhammad,Hassan, Mubashir,Rafiq, Muhammad,Abbas, Qamar,Ishaq, Ansa,Shahzadi, Saba,Seo, Sung-Yum,Saleem, Muhammad

, p. 424 - 437 (2018/09/14)

In view of considerable interest in the design and synthesis of new heterocyclic compounds with promising biological activities for medical and biological applications, a series of eight imine derivatives have been synthesized through microwave-assisted S

Facile synthesis, biological evaluation and molecular docking studies of novel substituted azole derivatives

Rafiq, Muhammad,Saleem, Muhammad,Jabeen, Farukh,Hanif, Muhammad,Seo, Sung-Yum,Kang, Sung Kwon,Lee, Ki Hwan

, p. 177 - 191 (2017/03/15)

In this study, we synthesized the series of novel azole derivatives and evaluated for enzyme inhibition assays, corresponding kinetic analysis and molecular modeling. Among the investigated bioassays, the oxadiazole derivatives 4a-k were found potent α-glucosidase inhibitors while the Schiff base derivatives 7a-k exhibited considerable potential toward urease inhibition. The inhibition kinetics for the most active compounds were analyzed by the Lineweaver–Burk plots to investigate the possible binding modes of the synthesized compounds toward the tested proteins. Moreover, the detailed docking studies were performed on the synthesized library of 4a-k and 7a-k to study the molecular interaction and binding mode in the active site of the modeled yeast α-glucosidase and Jack Bean Urease, respectively. It could be inferred from docking results that theoretical studies are in close agreement to that of the experimental results. The structure of one of the compound 7k was characterized by the single crystal X-ray diffraction analysis in order to find out the predominant conformation of the molecules.

NEW TRIAZOLOTHIADIAZOLE COMPOUND, USES THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICES HAVING THE SAME

-

, (2017/08/02)

The present invention refers to are the novel it will doze with the mote Oh D Oh it will doze compound to formula 1 (wherein, R is substituted or unsubstituted aryl group or polycyclic of 10 - 25 carbon atoms with three Neel metal among others) to are dis

Structure-based development of novel triazoles and related thiazolotriazoles as anticancer agents and Cdc25A/B phosphatase inhibitors. Synthesis, in?vitro biological evaluation, molecular docking and in silico ADME-T studies

Rostom, Sherif A.F.,Badr, Mona H.,Abd El Razik, Heba A.,Ashour, Hayam M.A.

, p. 263 - 279 (2017/08/30)

Synthesis of twenty nine new 1,2,4-triazoles and some derived thiazolothiadiazoles (structurally-relevant to some reported triazoles with anticancer and/or Cdc25A/B inhibitory activities) is described in this study. The obtained NCI's in vitro antitumor data revealed that five analogs (12, 15, 18, 19 and 22) displayed considerable tumor percentage growth inhibitory activity (GI%), among which the analog 18 possessed a special antitumor potential and spectrum. Additionally, the same five analogs showed a marginal GI effect on the normal breast epithelial cell line MCF-10A indicating higher selectivity towards cancer cells. The same active analogs 12, 15, 18, 19 and 22 were further assessed for their in vitro Cdc25A/B phosphatase inhibitory activity (a possible antitumor target), where 18 and 22 displayed a distinctive inhibitory affinity towards the Cdc25B isozyme (6.7 and 8.4 μM, respectively). Docking of 12, 15, 18, 19 and 22 with the active site of human Cdc25B phosphatase enzyme demonstrated superior binding profile by the top-scoring analog 18 relative to a reported Cdc25 phosphatase ligand. In silico calculations of molecular properties revealed that all of the active compounds comply with Lipinski's RO5 and Veber's criteria for good bioavailability suggesting good drug-likeness upon oral administration with a predicted high safety profile.

Acetylcholinesterase inhibition activity of some quinolinyl substituted triazolothiadiazole derivatives

Rafiq, Muhammad,Saleem, Muhammad,Hanif, Muhammad,Abbas, Qamar,Lee, Ki Hwan,Seo, Sung-Yum

, p. 170 - 177 (2015/04/14)

A series of aralkanoic acids was converted into aralkanoic acid hydrazides through their esters formation. The aralkanoic acid hydrazides upon treatment with carbon disulfide and methanolic potassium hydroxide yielded potassium dithiocarbazinate salts, which on refluxing with aqueous hydrazine hydrate yielded 5-aralkyl-4-amino-3-mercapto-1,2,4-triazoles. The target compounds, 3-aralkyl-6-(substitutedquinolinyl) [1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles, were synthesized by condensing various quinolinyl substituted carboxylic acids with 5-aralkyl-4-amino-3-mercapto-1,2,4-triazoles in phosphorus oxychloride. The structures of the newly synthesized triazolothiadiazoles were characterized by IR, 1H NMR, 13C NMR, and elemental analysis studies. The structure of one of the 5-aralkyl-4-amino-3-mercapto-1,2,4-triazoles was unambiguously deduced by single crystal X-ray diffraction analysis. All the synthesized compounds were screened for their acetylcholinesterase inhibition activities. Four of the triazolothiadiazoles exhibited excellent acetylcholinesterase inhibition activities as compared to the reference inhibitor.

Synthesis, urease inhibition, antioxidant and antibacterial studies of some 4-Amino-5-aryl-3H-1,2,4-triazole-3-thiones and their 3,6-Disubstituted 1,2,4-Triazolo[3,4-b]1,3,4-thiadiazole derivatives

Hanif, Muhammad,Saleem, Muhammad,Hussain, Muhammad Tahir,Rama, Nasim Hasan,Zaib, Sumera,Aslam, Muhammad Adil M.,Jones, Peter G.,Iqbal, Jamshed

experimental part, p. 854 - 860 (2012/07/28)

A new series of 4-amino-5-aryl-3H-1,2,4-triazole-3-thiones, bearing various methoxybenzyl- and methoxyphenethyl groups, was synthesized by refluxing potassium hydrazinecarbodithioate salts in dilute aqueous solution of hydrazine hydrate. These salts were formed by the reaction of acid hydrazides and carbon disulfide in methanolic potassium hydroxide solution at 0-5 °C. 4-Amino-5-aryl-3H-1,2,4-triazole-3-thiones were condensed with different substituted aromatic acids to yield 3,6-disubstituted-1,2,4-triazolo[3,4-b]1,3, 4-thiadiazoles. The structures of the synthesized compounds were characterized by infrared (IR), 1H and 13C nuclear magnetic resonance (NMR), elemental analysis and mass spectrometric (MS) studies. All the synthesized compounds were screened for their urease inhibition, antioxidant and antibacterial activities. Some compounds showed excellent urease inhibition activity, more than the standard drug. Others exhibited potent antioxidant activity. All the compounds showed significant antibacterial activities as compared to the standard drug.

Synthesis, characterization and evaluation of some 5-substituted 1,3,4-oxadiazole-2-thioesters as antifungal agents

Hasan, Aurangzeb,Sheikh, Md Rezaul Karim,Gapil, Shelly

experimental part, p. 2573 - 2578 (2012/09/07)

A series of 5-substituted 1,3,4-oxadiazole-2-thioesters was synthesized by converting several substituted organic acids successively into the corresponding esters, hydrazides and 5-substituted 1,3,4-oxadiazole-2-thiols. Finally the target compounds: 5-substituted 1,3,4-oxadiazole-2-thioesters were obtained by refluxing 5-substituted 1,3,4-oxadiazole-2-thiols in the presence of acid chloride and potassium hydroxide. The structures of the synthesized compounds were established by physicochemical and spectroscopic methods. The synthesized compounds were evaluated for their in vitro antifungal activity. Some of the evaluated compounds possessed significant antifungal activity as compared to a terbinafine standard.

Novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives as dual analgesic/anti-inflammatory and antimicrobial agents

Tozkoparan, Birsen,Aytac, Sevim Peri,Guersoy, Sule,Guenal, Selami,Aktay, Goeknur

scheme or table, p. 204 - 212 (2012/07/27)

For this study, a series of 3,6-disubstituted-1,2,4-triazolo-[3,4-b]-1,3,4- thiadiazoles (1-12) were synthesized by condensation of 4-amino-5-substituted-3- mercapto-1,2,4-triazoles with various benzoic acids through a one-pot reaction. The anti-inflammatory and analgesic activities as well as gastrointestinal irritation liability of the obtained compounds were evaluated. Several of the synthesized compounds showed noticeable analgesic and anti-inflammatory activity. For the active compounds a very low ulcerogenic index and diminished oxidative damage in stomach were observed. Moreover, title compounds were screened for their antifungal and antibacterial activities. Antifungal activity of the compounds was found better than that of their antibacterial activity.

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