52998-22-8

Basic information

• Product Name: 1,3-DIETHYL-5,6-DIAMINOURACIL
• Synonyms: 1,3-DIETHYL-5,6-DIAMINOURACIL;5,6-DIAMINO-1,3-DIETHYL-2,4(1H,3H)-PYRIMIDINEDIONE;5,6-Diamino-1,3-diethyluracil;1,3-Diethyl-5,6-aminouracil;3-DIETHYL-5,6-DIAMINOURACIL;5,6-diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione;1:5,6-diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione hydrochloride;1,3-diethyl-5,6-diaminouracil hydrochloride
• CAS NO: 52998-22-8
• Molecular Formula: C₈H₁₄N₄O₂
• Molecular Weight: 198.22
• Product Categories: Nucleotides and Nucleosides;Bases & Related Reagents;Nucleotides
• Mol File: 52998-22-8.mol
• Article Data: 14

Chemical Properties

• Melting Point: 88-98°C
• Boiling Point: 278.3°Cat760mmHg
• Flash Point: 122.1°C
• Appearance: /
• Density: 1.23g/cm³
• Vapor Pressure: 0.0043mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: Chloroform
• PKA: 4.40±0.70(Predicted)
• Sensitive: Hygroscopic
• CAS DataBase Reference: 1,3-DIETHYL-5,6-DIAMINOURACIL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DIETHYL-5,6-DIAMINOURACIL(52998-22-8)
• EPA Substance Registry System: 1,3-DIETHYL-5,6-DIAMINOURACIL(52998-22-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 52998-22-8(Hazardous Substances Data)

Usage

Description

1,3-DIETHYL-5,6-DIAMINOURACIL, with the CAS number 52998-22-8, is a yellow solid compound that is primarily utilized in the field of organic synthesis. Its chemical structure and properties make it a valuable component in the creation of various organic compounds and materials.

Uses

Used in Organic Synthesis:
1,3-DIETHYL-5,6-DIAMINOURACIL is used as a key intermediate for the synthesis of various organic compounds. Its unique chemical structure allows it to participate in a range of reactions, such as substitution, addition, and condensation, which are essential for the development of new molecules with specific properties and applications.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1,3-DIETHYL-5,6-DIAMINOURACIL is used as a building block for the development of new drugs. Its chemical properties make it suitable for the synthesis of various drug candidates, particularly those targeting specific biological pathways or receptors.
Used in Chemical Research:
1,3-DIETHYL-5,6-DIAMINOURACIL is also used in chemical research to study the properties and behavior of different chemical reactions. Its unique structure provides researchers with valuable insights into the mechanisms of various organic reactions, contributing to the advancement of chemical knowledge and the development of new synthetic methods.
Used in Material Science:
In the field of material science, 1,3-DIETHYL-5,6-DIAMINOURACIL can be used as a component in the development of new materials with specific properties. Its chemical structure can be manipulated to create materials with tailored characteristics, such as improved stability, reactivity, or selectivity, which can be applied in various industries, including electronics, energy, and environmental protection.

InChI:InChI=1/C8H14N4O2/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3

Upstream product

• 634-95-7 N,N-diethylurea 
• 41740-15-2 6-amino-1,3-diethyluracil 
• 623-76-7 N,N'-diethylurea 
• 89073-60-9 6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione 

Downstream Products

• 155271-62-8 (E)-8-(3-Chlorostyryl)-1,3-diethylxanthine 
• 155271-90-2 (E)-1,3-Diethyl-8-(2-fluorostyryl)xanthine 
• 155271-34-4 (E)-8-(4-Butoxystyryl)-1,3-diethylxanthine 
• 155271-26-4 (E)-8-(2,5-Dimethylstyryl)-1,3-diethylxanthine 
• 155271-99-1 (E)-1,3-Diethyl-8-(3-methoxy-4,5-methylenedioxystyryl)xanthine 
• 155271-64-0 (E)-1,3-Diethyl-8-(α-methylstyryl)xanthine 
• 155271-95-7 (E)-1,3-Diethyl-8-(3-fluoro-4-methoxystyryl)xanthine 
• 155814-35-0 (E)-1,3-Diethyl-8-(3-phenoxystyryl)xanthine 
• 1048955-53-8 (E)-8-[2-(4-methoxyphenyl)vinyl]-1,3-diethyl-3,7-dihydropurine-2,6-dione 
• 1048955-40-3 1,3-diethyl-8-(4-fluorophenyl)-1H-purine-2,6(3H,7H)-dione 
• 1048955-41-4 1,3-diethyl-8-(4-nitrophenyl)-1H-purine-2,6(3H,7H)-dione 
• 75922-48-4 1,3-diethyl-8-phenylxanthine 
• 1095871-46-7 1,3-diethyl-8-(4-methoxyphenyl)-1H-purine-2,6(3H,7H)-dione 
• 1048955-42-5 C₁₆H₁₇BrN₄O₃ 

Relevant articles and documents

Novel, Dual Target-Directed Annelated Xanthine Derivatives Acting on Adenosine Receptors and Monoamine Oxidase B

Annelated purinedione derivatives have been shown to act as possible multiple-target ligands, addressing adenosine receptors and monoaminooxidases. In this study, based on our previous results, novel annelated pyrimido- and diazepino[2,1-f]purinedione derivatives were designed as dual-target-directed ligands combining A2A adenosine receptor (AR) antagonistic activity with blocking monoamine oxidase B. A library of 19 novel compounds was synthesized and biologically evaluated in radioligand binding studies at AR subtypes and for their ability to inhibit MAO-B. This allowed 9-(2-chloro-6-fluorobenzyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione (13 e; Ki human A2AAR: 264 nM and IC50 human MAO-B: 243 nM) to be identified as the most potent dual-acting ligand from this series. ADMET parameters were estimated in vitro, and analysis of the structure-activity relationships was complemented by molecular-docking studies based on previously published X-ray structures of the protein targets. Such dual-acting ligands, by selectively blocking A2A AR, accompanied by the inhibition of dopamine metabolizing enzyme MAO-B, might provide symptomatic and neuroprotective effects in, among others, the treatment of Parkinson disease.

Improved synthesis technology of istradefylline

The invention provides an improved synthesis technology of istradefylline. According to the technology, istradefylline is prepared from 1,3-diethyl-6-amino-5-nitrosouracil (SM-III) as a starting material through four steps.

Preparation method and use of istradefylline

The invention relates to the technical field of pharmaceutical chemistry, and particularly relates to a preparation method and use of istradefylline; specifically, with 1,3-diethyl formamide and cyanoacetic acid as raw materials, istradefylline is prepared through cyclization, nitration, reduction, condensation, cyclization, methylation reaction and other steps; the preparation method provided by the invention is simple, high in production efficiency and wide in application prospect.