155690-79-2

Basic information

• Product Name: 6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
• Synonyms: 6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE;6-BroMo-3H-pyrido[2,3-d]p...;6-BroMo-3H-pyrido[2,3-d]pyriMidin-4-one;6-bromo-3H,4H-pyrido[2,3-d]pyrimidin-4-one;6-bromopyrido[2,3-d]pyrimidin-4(3H)-one;6-Bromo-1H-pyrido[2,3-d]pyrimidin-4-one;6-Bromopyrido[2,3-d]pyrimidin-4(1H)
• CAS NO: 155690-79-2
• Molecular Formula: C₇H₄BrN₃O
• Molecular Weight: 226.04
• Mol File: 155690-79-2.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 396 °C at 760 mmHg
• Flash Point: 193.3 °C
• Appearance: /
• Density: 2.01 g/cm³
• Vapor Pressure: 1.76E-06mmHg at 25°C
• Refractive Index: 1.785
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 9.20±0.20(Predicted)
• CAS DataBase Reference: 6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE(155690-79-2)
• EPA Substance Registry System: 6-BROMOPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE(155690-79-2)

Safety Data

• Hazardous Substances Data: 155690-79-2(Hazardous Substances Data)

Usage

General Description

6-Bromopyrido[2,3-d]pyrimidin-4(1H)-one is a chemical compound belonging to the family of Pyrido[2,3-d]pyrimidines. These compounds are polycyclic aromatic compounds comprising of a pyridopyrimidine moiety that bear a ketone group at the 4th position, and a bromine atom at the 6th position on the pyridopyrimidine moiety. It does not have data available concerning its density, boiling point, flash point etc. This chemical structure is used in chemical research and the development of new pharmaceuticals. However, more specific safety and usage data for this compound appears to be limited or not readily available.

InChI:InChI=1/C7H4BrN3O/c8-4-1-5-6(9-2-4)10-3-11-7(5)12/h1-3H,(H,9,10,11,12)

Upstream product

• 5345-47-1 2-aminopyridin-3-carboxylic acid 
• 52833-94-0 2-amino-5-bromonicotinicacid 
• 77287-34-4 formamide 
• 433226-06-3 2-amino-5-bromonicotinic acid ethyl ester 
• 13362-26-0 2-aminopyridine-3-carboxylic acid ethyl ester 
• 1121633-45-1 6-bromopyrido[2,3-d]pyrimidin-4-amine 
• 3473-63-0 formamidine acetic acid 
• 5794-88-7 5-Bromo-2-aminobenzoic acid 

Downstream Products

• 1394930-41-6 C₂₈H₂₉Cl₂FN₆O₃ 
• 1394930-43-8 C₂₃H₂₁Cl₂FN₆O 
• 1394930-38-1 6-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3H,4H-pyrido[2,3-d]pyrimidin-4-one 
• 1215787-31-7 6-bromo-4-chloropyrido[2,3-d]pyrimidine 
• 1121633-45-1 6-bromopyrido[2,3-d]pyrimidin-4-amine 

Relevant articles and documents

SYNTHESIS, X-RAY STRUCTURE ANALYSIS, AND VIBRATIONAL SPECTRAL STUDIES OF 1-(3-((6-BROMOPYRIDO[2,3-d]PYRIMIDIN-4-YL) OXY)PHENYL)-3-CYCLOPENTYLUREA

Abstract: A new pyrido[2,3-d]pyrimidine derivative 1-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3-cyclopentylurea is designed and synthesized. The final structure is characterized by 1H, 13C, and 2D NMR, MS, FTIR. In addition, the crystal structure of the title compound is determined by X-ray diffraction. With the 6-311G(2d,p) basis set, the molecule is further explored using density functional theory (DFT) by the B3LYP method. The final results show that the DFT optimized structure of the title molecule is consistent with the crystal structure determined by X-ray diffraction. The Hirshfeld surface analysis and the 2D fingerprint plot are given to support the quantitative analysis of intermolecular interactions and contacts generated by supramolecular accumulation in crystals. The interactions of the title molecule are analyzed by the natural bond orbital analysis. Finally, the molecular electrostatic potential and frontier molecular orbitals are further investigated using DFT. [Figure not available: see fulltext.]

Synthesis and antitumor activity of novel pyridino[2,3-d]pyrimidine urea derivatives

A series of novel N-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)pyrrolidine-1-carboxamide and 1-(3-((6-bromopyrido[2,3-d]pyrimidin-4-yl)oxy)phenyl)-3-propylurea derivatives were synthesized. Their antitumor activities against human breast carcinoma cells (MCF-7) and human colon cancer cells (HCT-116) in vitro were evaluated, using sorafenib as a positive control drug. Anticancer bioassays indicated that several compounds exhibited appreciable anticancer activity against MCF-7 and HCT-116 cells. Particularly, compounds 9g and 8b demonstrated the most significant inhibitory effect against HCT-116 and MCF-7 cells, with inhibition ratios of 25.56% and 26.46%, respectively. Additionally, the synthesized pyridine[2,3-d]pyrimidine derivatives containing a urea group moieties exhibited antitumor activities against MCF-7 and HCT-116 cells in vitro.

BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES

The present invention relates to novel Bicyclic Heterocycle Compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein A, X, Y, Z, R1 R5, R6, and R7 are as defined herein. The present invention also relates to compositions comprising