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2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-(phenylmethyl)is a versatile chemical compound characterized by a pyrimidine ring structure, featuring a chlorine atom at position 6 and a phenylmethyl group attached to position 3. 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-(phenylmethyl)is known for its potential in the synthesis of pharmaceuticals and agrochemicals, serving as an intermediate or building block. The presence of the chloro group on the pyrimidine ring allows for a range of chemical reactions, while the phenylmethyl group offers flexibility for further structural modifications. Its significance in medicinal chemistry and drug discovery is attributed to its adaptability and the capacity to generate new compounds with biological activity.

5759-76-2

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5759-76-2 Usage

Uses

Used in Pharmaceutical Synthesis:
2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-(phenylmethyl)is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of compounds with specific therapeutic properties, contributing to the advancement of new medications.
Used in Agrochemical Production:
In the agrochemical industry, 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-(phenylmethyl)serves as a building block for the creation of novel agrochemicals. Its chemical properties enable the production of compounds with applications in crop protection and enhancement of agricultural yields.
Used in Medicinal Chemistry Research:
2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-(phenylmethyl)is employed as a research tool in medicinal chemistry, where its reactivity and structural features are explored to understand its potential in forming new biologically active molecules. Its use in research aids in the discovery of innovative drug candidates.
Used in Drug Discovery:
2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-(phenylmethyl)is used in drug discovery processes to create diverse chemical libraries. These libraries are screened for potential drug candidates, accelerating the identification of new therapeutic agents with improved efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 5759-76-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,5 and 9 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5759-76:
(6*5)+(5*7)+(4*5)+(3*9)+(2*7)+(1*6)=132
132 % 10 = 2
So 5759-76-2 is a valid CAS Registry Number.

5759-76-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-benzyl-6-chloro-1H-pyrimidine-2,4-dione

1.2 Other means of identification

Product number -
Other names 1-Benzyl-4-chlor-uracil

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:5759-76-2 SDS

5759-76-2Relevant academic research and scientific papers

Regiospecific synthesis of 6-halouridine derivatives: An effective method for coupling sterically hindered pyrimidine bases to ribose

Blackburn, Daniel J.,Kent, Greggory T.,Wu, Weiming

, p. 1348 - 1350 (2017)

6-Halouridine derivatives were synthesized regiospecifically through the coupling of N3-protected 6-halouracil to a ribose derivative. The combination of the silylating reagent N,O-bis(trimethylsilyl)acetamide and Lewis acid catalyst trimethylsilyl triflu

Planar chiral flavinium salts: Synthesis and evaluation of the effect of substituents on the catalytic efficiency in enantioselective sulfoxidation reactions

Jurok, Radek,Hodacova, Jana,Eigner, Vaclav,Dvorakova, Hana,Setnicka, Vladimir,Cibulka, Radek

supporting information, p. 7724 - 7738 (2013/12/04)

A series of substituted planar chiral flavinium salts with a phenyl "cap" have been prepared as potential catalysts for enantioselective sulfoxidation reactions with hydrogen peroxide by using an approach based on the synthesis of (arylamino)uracils and their condensation with substituted nitrosobenzenes. The effect of substituents at various positions on the ability of the catalyst to promote enantioselective sulfoxidation recations was investigated. Introduction of the tyrosine group into the side-chain of the flavinium species or substitution of the nitrogen N-3 of the flavin unit by o-isopropylphenyl has a remarkably positive effect on the enantioselectivity of the sulfoxidation reactions of aromatic and aliphatic substrates, respectively. On the other hand, substitution of the phenyl "cap" led to a substantial decrease in the efficiency of the catalyst. In summary, optimisation of the structures of the planar chiral flavinium catalysts led to enantioselectivities of up to 61 % ee for aromatic sulfides and of up to 65 % ee for tert-butyl methyl sulfide. By making structural changes to the planar chiral flavinium catalysts, the enantioselectivities of the sulfoxidation of aryl methyl sulfides and tert-butyl methyl sulfide with hydrogen peroxide have been improved. Copyright

PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN

-

, (2012/01/13)

Disclosed are compounds, compositions and methods for treating pain, including inflammatory, visceral, and acute pain. Such compounds are represented by Formula (I) as follows: wherein A1, L1, D, L2, and Q are defined herein.

Planar chiral flavinium salts - Prospective catalysts for enantioselective sulfoxidation reactions

Jurok, Radek,Cibulka, Radek,Dvorakova, Hana,Hampl, Frantisek,Hodacova, Jana

supporting information; experimental part, p. 5217 - 5224 (2010/11/02)

A novel planar chiral flavinium salt, 3-benzyl-5-ethyl-10-(8- phenylnaphthalen-1-yl)isoalloxazinium perchlorate (2b), which bears a phenyl cap that covers one side of the isoalloxazinium skeleton plane, has been prepared as a potential catalyst for the enantioselective H2O2 oxidation of sulfides. The rate of H2O2 oxidation of sulfides in the presence of racemic 2b is comparable to that of the reaction catalysed by 5-ethyl-3,10-dimethylisoalloxazinium perchlorate, which indicates that the bulky shielding substituent does not influence the catalytic activity of the flavinium unit. The turnover frequency for the oxidation of thioanisole with hydrogen peroxide with 2b is 870 h-1. The enantiomerically pure salts (+)-2b and (-)-2b were prepared from the pure enantiomers (+)-3b and (-)-3b of 3-benzyl-10-(8-phenylnaphthalen-1-yl)isoalloxazine (3b) obtained by HPLC separation of racemic 3b on a chiral stationary phase. The enantiomerically pure salts (+)-2b and (-)-2b catalyse the H2O2 oxidation of para-substituted thioanisoles with enantiomeric excesses of 34-44%. The highest enantioselectivity (54% ee) was observed in the oxidation of methyl naphthyl sulfide.

PROKINETICIN 1 RECEPTOR

-

Page/Page column 66-67, (2008/06/13)

The present invention relates to methods of monitoring the biological activity of the PK1 receptor.

PYRIMIDINDIONE DERIVATIVES AS PROKINETICIN 2 RECEPTOR ANTAGONISTS

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Page/Page column 78-79, (2010/11/24)

The present invention relates to certain novel compounds of Formula (I), which are suitable for the treatment of prokineticin 2 or prokinetin 2 receptor mediated disorders.

Matrix metalloproteinase inhibitors

-

, (2008/06/13)

Compounds are provided that bind allosterically to the catalytic domain of MMP-13 and comprise a hydrophobic group, first and second hydrogen bond acceptors and at least one, and preferably both, of a third hydrogen bond acceptor and a second hydrophobic group. Cartesian coordinates for centroids of the above features are defined in the specification. When the ligand binds to MMP-13, the first, second and third (when present) hydrogen bond acceptors bond respectively with Thr245, Thr 247 and Met 253, the first hydrophobic group locates within the S1' channel of MMP-13 and the second hydrophobic group (when present) is relatively open to solvent. The compounds specifically inhibit the matrix metalloproteinase-13 enzyme and thus are useful for treating diseases resulting from tissue breakdown, such as heart disease, multiple sclerosis, arthritis, atherosclerosis, and osteoporosis.

Imidazopyridine or imidazopyrimidine compounds, their production and use

-

, (2008/06/13)

This invention provides a new condensed imidazole compound possessing inhibitory activity of adhesion molecule expression. This invention also provides a therapeutic and prophylactic agent for diabetic nephritis and/or autoimmune disease and an immunosuppressor for organ transplantation.

ISOLATION OF NEW CHLORINATED REGIOISOMERS OF MONO N-SUBSTITUTED URACIL DERIVATIVES AND SYNTHESIS OF 3-SUBSTITUTED 8-PHENYLPYRIMIDO-1,2,4-TRIAZINE-5,7(6H,8H)-DIONES

Nagamatsu, Tomohisa,Yamasaki, Hirofumi,Yoneda, Fumio

, p. 1147 - 1164 (2007/10/02)

A variety of fervenulin type products, 3-substituted 8-phenylpyrimido-1,2,4-triazine-5,7(6H,8H)-diones (18a-i), were synthesized by nitrosative or nitrative cyclization of the aldehyde hydrazones (17a-i) derived from 6-(1-methylhydrazino)-1-phenyluracil (16) with aliphatic as well as aromatic aldehydes.The compound (16) was prepared by the reaction of 6-chloro-1-phenyluracil (8) with methylhydrazine.In addition, not only the precursor of 16, 6-chloro-1-phenyluracil (8), but also other new chlorinated regioisomers of mono N-substituted pyrimidine (9) and uracil (14) were isolated and characterized by the reductive dechlorination of them.

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