620112-78-9

Basic information

• Product Name: alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile
• Synonyms: α-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile;(E)-2-(Benzo[d]thiazol-2-yl)-3-(9-methyl-4-oxo-2-(m-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)a;alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile;CCG-63802;(E)-2-(Benzo[d]thiazol-2-yl)-3-(9-methyl-4-oxo-2-(m-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)acry
• CAS NO: 620112-78-9
• Molecular Formula: C26H18N4O2S
• Molecular Weight: 450.51172
• Mol File: 620112-78-9.mol

Chemical Properties

• Boiling Point: 547.9 °C at 760 mmHg
• Flash Point: 285.1 °C
• Appearance: /
• Density: 1.31
• Vapor Pressure: 4.68E-12mmHg at 25°C
• Refractive Index: 1.694
• Storage Temp.: room temp
• Solubility: Limited solubility, soluble in DMSO
• PKA: -0.42±0.70(Predicted)
• CAS DataBase Reference: alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile(620112-78-9)
• EPA Substance Registry System: alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile(620112-78-9)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 620112-78-9(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry:
alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile is used as a compound of interest for the development of new drugs, given its structural features that may contribute to biological activity.
Used in Pharmaceutical Research:
In the pharmaceutical industry, alpha-[[9-Methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile is utilized as a candidate for research into its potential therapeutic properties, with the aim of identifying and understanding its effects on various biological targets.

InChI:InChI=1/C26H18N4O2S/c1-16-7-5-9-19(13-16)32-24-20(26(31)30-12-6-8-17(2)23(30)29-24)14-18(15-27)25-28-21-10-3-4-11-22(21)33-25/h3-14H,1-2H3/b18-14+