145783-12-6

Basic information

• Product Name: 6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE
• Synonyms: 6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE;S-Propyl-2-thiobarbituric Acid;4(1H)-Pyrimidinone, 6-hydroxy-2-(propylthio)-;4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
• CAS NO: 145783-12-6
• Molecular Formula: C₇H₁₀N₂O₂S
• Molecular Weight: 186.23
• Mol File: 145783-12-6.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 399.6°C at 760 mmHg
• Flash Point: 195.5°C
• Appearance: /
• Density: 1.38g/cm³
• Vapor Pressure: 5.88E-07mmHg at 25°C
• Refractive Index: 1.628
• PKA: 3.54±0.10(Predicted)
• CAS DataBase Reference: 6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE(145783-12-6)
• EPA Substance Registry System: 6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE(145783-12-6)

Safety Data

• Hazardous Substances Data: 145783-12-6(Hazardous Substances Data)

Usage

General Description

6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE is a chemical compound that belongs to the class of organic compounds known as pyrimidinones, derived from pyrimidine, a heterocyclic aromatic compound. It features a propylthio group attached at the 2-position and a hydroxy group at the 6-position, and is characterized by its lactam structure. Its specific properties and applications vary depending on the context of its use, which extends across various scientific and industrial fields. However, detailed information about its toxicity or presence in biological systems is currently limited.

InChI:InChI=1/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)

Upstream product

• 504-17-6 4,6-dihydroxy-2-mercaptopyrimidine 
• 106-94-5 propyl bromide 
• 107-08-4 1-iodo-propane 
• 91759-32-9 2-Thiobarbituric acid 
• 872-50-4 1-methyl-pyrrolidin-2-one 

Downstream Products

• 145783-13-7 4,6-dihydroxy-5-nitro-2-(propylthio)pyrimidine 
• 1383715-62-5 2-({(3aR,4S,6R,6aS)-6-[7-{[[N-(IR,2S)-2-(3,4-difluorophenyl)-cyclopropan-1-yl]-N-benzyl]amino}-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}oxy)ethanol 
• 1383715-63-6 C₃₀H₃₄F₂N₆O₄S 
• 1383715-64-7 2-({(3aR,45,6R,6aS)-6-[7-{[[N-(1R,2S)-2-(3,4-difluorophenyl)-cyclopropan-1-yl]-N-tert-butoxycarbonyl]amino}-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}oxy)-O-tertbutoxycarbonylethanol 
• 1401318-10-2 4,6-dichloro-2-(propylthio)pyrimidine 
• 946855-77-2 4,6-dichloro-5-[(E)-2-(4-phenyl)diazenyl]-2-(propylsulfanyl)pyrimidine 
• 1354945-69-9 9-[(1’R,2’S,3’S,4’S)-2’,3’-dihydroxyl-4'-hydroxyethoxycyclopenta-1'-yl]-9H-2-thiopropyl-6-chloro-8-azepine 
• 1402150-32-6 (1S 2S,3R,5S)-3-[(5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol 

Relevant articles and documents

Synthesis, Antiplatelet Aggregation Activity Evaluation and 3D-QSAR of a Series of Novel 6-Alkylamino(Alkoxyl)-2-Propylthio-8-Azapurine Nucleosides

A series of novel 6-alkylamino(alkoxyl)-2-propylthio-8-azapurine nucleosides were synthesized by an improved route, and the human antiplatelet aggregation activities of these new compounds were evaluated. A self-organizing molecular field analysis method was used to study the three-dimensional quantitative structure–activity relationship of these novel nucleosides. The results of the antiplatelet aggregation activity evaluation and analysis of the self-organizing molecular field analysis models through shape and electrostatic grids may provide a basis for the development of new and potent antiplatelet agents.

Design, synthesis and antiproliferative activity of thiazolo[5,4-d]pyrimidine derivatives through the atom replacement strategy

A series of thiazolo[5,4-d]pyrimidine derivatives were designed through the atom replacement strategy based on biologically validated scaffolds and then evaluated for their antiproliferative activities on cancer cell lines. The structure-activity relationship studies were conducted, leading to the identification of compound 22, which exhibited good antiproliferative activity against HGC-27 with an IC50 value of 1.22 μM and low toxicity against GES-1 cells. Mechanistic studies showed that compound 22 inhibited the colony formation and migration of HGC-27 as well as induced apoptosis. The western blot experiments proved that compound 22 up-regulated expression of Bax, down-regulated expression levels of Bcl-2 and cleaved caspased-3/9. These findings indicate that compound 22 may serve as a template for designing new agents for the treatment of human gastric cancers. The atom replacement strategy could be viable strategy for designing new anticancer drugs and may find its applications in drug design.

Pyrimido triazole compound and medical application thereof (by machine translation)

The present invention relates to a compound of general (I) or a hydrate thereof or a pharmaceutically acceptable salt, thereof, a hydrate thereof or a pharmaceutically acceptable salt thereof, a pharmaceutical composition containing the same or a pharmaceutically acceptable salt thereof, and use, of the compound or a pharmaceutically acceptable salt thereof in the manufacture of a medicament . The medicament is for anti-platelet aggregation and treatment of related diseases such as antithrombotic . (by machine translation)

Pyrimidine and triazole containing LSD1 inhibitor and preparation method and application thereof

The invention belongs to the field of medicinal chemistry, and discloses a pyrimidine and triazole containing compound and a preparation method and application thereof in preparation of anti-cancer medicine with lysine specific demethylase 1 (LSD1) being a target. The general formula of the compound is shown in the drawing I. In-vitro LSD1 enzyme inhibition activity experiments prove that by inhibiting LSD1 activity, the compound has obvious inhibiting and killing effects on kinds of cancer cells and can be applied to preparation of the anti-cancer medicine as a further developed lead compound.