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methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • methyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Cas No: 134074-33-2

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  • methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Cas No: 134074-33-2

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  • 134074-33-2 Structure
  • Basic information

    1. Product Name: methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    2. Synonyms: methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;methyl 6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
    3. CAS NO:134074-33-2
    4. Molecular Formula: C13H13N3O4S
    5. Molecular Weight: 307.32502
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 134074-33-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(134074-33-2)
    11. EPA Substance Registry System: methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(134074-33-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 134074-33-2(Hazardous Substances Data)

134074-33-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 134074-33-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,4,0,7 and 4 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 134074-33:
(8*1)+(7*3)+(6*4)+(5*0)+(4*7)+(3*4)+(2*3)+(1*3)=102
102 % 10 = 2
So 134074-33-2 is a valid CAS Registry Number.

134074-33-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (en)5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(3-nitrophenyl)-2-thioxo-, methyl ester (en)

1.2 Other means of identification

Product number -
Other names -

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

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More Details:134074-33-2 SDS

134074-33-2Relevant articles and documents

Design, Synthesis and Molecular Docking Studies of Some Tetrahydropyrimidine Derivatives as Possible Fascin Inhibitors

Riahi, Narges,Kefayat, Amirhosein,Ghasemi, Ahmad,Asgarshamsi, Mohammadhosein,Panjehpoor, Mojtaba,Fassihi, Afshin

, (2019/01/09)

Eight derivatives of tetrahydropyrimidine scaffold were designed and prepared as hybrid compounds possessing the structural features of both monastrol as an anticancer drug and nifedipine as a fascin blocking agent. All of the compounds were evaluated for

Heteropoly acid supported on activated natural clay-catalyzed synthesis of 3,4-dihydropyrimidinones/thiones through Biginelli reaction under solvent-free conditions

Selvakumar, Karuppaiah,Shanmugaprabha, Thangamariyappan,Kumaresan, Murugan,Sami, Ponnusamy

, p. 223 - 232 (2018/01/01)

Dihydropyrimidinones/thiones (DHPM’s) have been prepared by one-pot condensation of methyl acetoacetate, aldehydes, urea/thiourea in the presence of heteropoly-11-tungsto-1-vanadophosphoric acid, H4[PVW11O40] · 32H2/

Sulfamic Acid Supported Magnetic Fe3O 4 Nanoparticles Catalyzed Synthesis of 3,4-Dihydropyrimidin-2(1 H)-ones/Thiones

Shaghayeghi Toosi, Foad,Maghsoodi, Ali,Toosi, Faranak Shaghayeghi

, p. 168 - 170 (2015/10/12)

Sulfamic acid supported on magnetic Fe3O4 nanoparticles catalyzed the condensation reaction of aldehydes, 1,3-dicarbonyl compounds, and urea or thiourea in the synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones under solvent-free c

Silica-supported boric acid catalyzed synthesis of dihydropyrimidin-2-ones, bis(indolyl)methanes, esters and amides

Kumar, Vishal,Singh, Chitra,Sharma, Upendra,Verma, Praveen K.,Singh, Bikram,Kumar, Neeraj

, p. 83 - 89 (2014/02/14)

Silica-supported boric acid (H3BO3-SiO2) has been established as a green, efficient and recyclable catalyst for the synthesis of dihydropyrimidin-2-ones, bis(indolyl)methanes, and acetylation of alcohols, phenols, amines and thiols under solvent free conditions. The main features of the present method include clean reaction, mild conditions, low loading of environment friendly catalyst and easy workup procedure. The catalyst can be recycled at least five times without any significant loss in activity.

Microwave-assisted and iodine-catalyzed synthesis of dihydropyrimidin-2- thiones via Biginelli reaction under solvent-free conditions

Liu, Qingjian,Pan, Ning,Xu, Jiehua,Zhang, Wenwen,Kong, Fanpeng

, p. 139 - 146 (2012/11/07)

Microwave-assisted synthesis of 3,4-dihydropyrimidin-2-thiones via Biginelli reaction from aldehydes, acetoacetates, and thiourea in the presence of iodine under solvent-free conditions has been accomplished in good yields and purity without chromatograph

Acetylcholinesterase inhibitors: Structure based design, synthesis, pharmacophore modeling, and virtual screening

Valasani, Koteswara Rao,Chaney, Michael O.,Day, Victor W.,Shidu Yan, Shirley

, p. 2033 - 2046 (2013/09/23)

Acetylcholinesterase (AChE) is a main drug target, and its inhibitors have demonstrated functionality in the symptomatic treatment of Alzheimer's disease (AD). In this study, a series of novel AChE inhibitors were designed and their inhibitory activity was evaluated with 2D quantitative structure-activity relationship (QSAR) studies using a training set of 20 known compounds for which IC50 values had previously been determined. The QSAR model was calculated based on seven unique descriptors. Model validation was determined by predicting IC50 values for a test set of 20 independent compounds with measured IC50 values. A correlation analysis was carried out comparing the statistics of the measured IC50 values with predicted ones. These selectivity-determining descriptors were interpreted graphically in terms of principal component analyses (PCA). A 3D pharmacophore model was also created based on the activity of the training set. In addition, absorption, distribution, metabolism, and excretion (ADME) descriptors were also determined to evaluate their pharmacokinetic properties. Finally, molecular docking of these novel molecules into the AChE binding domain indicated that three molecules (6c, 7c, and 7h) should have significantly higher affinities and solvation energies than the known standard drug donepezil. The docking studies of 2H-thiazolo[3,2-a]pyrimidines (6a-6j) and 5H-thiazolo[3,2-a] pyrimidines (7a-7j) with human AChE have demonstrated that these ligands bind to the dual sites of the enzyme. Simple and ecofriendly syntheses and diastereomeric crystallizations of 2H-thiazolo [3,2-a]pyrimidines and 5H-thiazolo[3,2-a] pyrimidines are described. The solid-state structures for the HBr salts of compounds 6a, 6e, 7a, and 7i have been determined using single-crystal X-ray diffraction techniques, and X-ray powder patterns were measured for the bulk solid remaining after solvent was removed from solutions containing 6a and 7a. These studies provide valuable insight for designing more potent and selective inhibitors for the treatment of AD.

Ultrasound-mediated synthesis of 3,4-dihydropyrimidin-2-(1H)-ones (or Thiones) with NaHSO4·H 2O

Dilmaghani, Karim Akbari,Zeynizadeh, Behzad,Amirpoor, Maryam

, p. 1634 - 1642 (2013/10/21)

A fast and efficient Biginelli synthesis of 3,4-dihydropyrimidin-2-(1H)- ones (or thiones) by the reaction of aromatic aldehydes, β-dicarbonyls, and urea/thiourea using NaHSO4·H2O/ultrasound system is presented. The reactions were ca

Bronsted reusable acidic ionic liquids catalyzed Biginelli reaction under solvent-free conditions

Shaterian, Hamid Reza,Aghakhanizadeh, Morteza

, p. 1064 - 1070 (2013/09/02)

2-Pyrrolidonium hydrogensulfate, N-methyl-2-pyrrolidonium hydrogensulfate, and N-methyl-2-pyrrolidonium dihydrogenphosphate as Bronsted reusable acidic ionic liquids (ILs) catalyzed the preparation of 3,4-dihydropyrimidin- 2(1H)-one (thione) derivatives f

Antagonism of L-type Ca2+ channels CaV1.3 and Ca V1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics

Kang, Soosung,Cooper, Garry,Dunne, Sara Fernandez,Luan, Chi-Hao,James Surmeier,Silverman, Richard B.

, p. 4365 - 4373 (2013/07/25)

The L-type calcium channel (LTCC) CaV1.3 is regarded as a new potential therapeutic target for Parkinson's disease. Calcium influx through CaV1.3 LTCC during autonomous pacemaking in adult dopaminergic neurons of the substantia nigra pars compacta is related to the generation of mitochondrial oxidative stress in animal models. Development of a Ca V1.3 antagonist selective over CaV1.2 is essential because CaV1.2 pore-forming subunits are the predominant form of LTCCs and are abundant in the central nervous and cardiovascular systems. We have explored 1,4-dihydropyrimidines and 4H-pyrans to identify potent and selective antagonists of CaV1.3 relative to CaV1.2 LTCCs. A library of 36 dihydropyridine (DHP)-mimic 1,4-dihydropyrimidines and 4H-pyrans was synthesized, and promising chiral compounds were resolved. The antagonism studies of CaV1.3 and CaV1.2 LTCCs using DHP mimic compounds showed that dihydropyrimidines and 4H-pyrans are effective antagonists of DHPs for CaV1.3 LTCCs. Some 1,4-dihydropyrimidines are more selective than isradipine for CaV1.3 over CaV1.2, shown here by both calcium flux and patch-clamp electrophysiology experiments, where the ratio of antagonism is around 2-3. These results support the hypothesis that the modified hydrogen bonding donor/acceptors in DHP-mimic dihydropyrimidines and 4H-pyrans can interact differently with DHP binding sites, but, in addition, the data suggest that the binding sites of DHP in CaV1.3 and Ca V1.2 LTCCs are very similar.

The efficient synthesis of 3,4-dihydropyrimidin-2-(1H)-ones and their sulfur derivatives with H2SO4 immobilized on activated charcoal

Dilmaghani, Karim Akbari,Zeynizadeh, Behzad,Parasajam, Hadi

experimental part, p. 544 - 553 (2012/03/26)

Various 3,4-dihydropyrimidin-2-(1H)-ones (DHPMs) and their sulfur derivatives were efficiently synthesized by a one-pot cyclocondensation reaction of aromatic and aliphatic aldehydes, β-dicarbonyl compounds and urea (or thiourea) in the presence of sulfur

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