5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE

Base Information

• Chemical Name: 5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE
• CAS No.: 5207-52-3
• Molecular Formula: C18H13 N3 O
• Molecular Weight: 287.321
• Hs Code.: 2934999090
• Mol file: 5207-52-3.mol

Synonyms:Furo[2,3-d]pyrimidine,4-amino-5,6-diphenyl- (7CI,8CI); 4-Amino-5,6-diphenylfuro[2,3-d]pyrimidine; NSC153298

Chemical Property of 5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE

Chemical Property:

• Vapor Pressure: 4.69E-09mmHg at 25°C
• Boiling Point: 471.3°Cat760mmHg
• Flash Point: 238.9°C
• PSA: 64.94000
• Density: 1.273g/cm³
• LogP: 4.72020

Purity/Quality:

98%min ^*data from raw suppliers

5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• General Description: 5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE is a furanopyrimidine derivative investigated as a Chk1 kinase inhibitor, with potential applications in cancer therapy due to its role in disrupting cell cycle regulation. Its structure, featuring a diphenyl-substituted furopyrimidine core, contributes to binding interactions with Chk1, as evidenced by crystallographic and molecular modeling studies. 5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE's affinity is influenced by hydrogen bonding and optimized synthetic routes involving condensation and cyclization reactions.

Technology Process of 5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE

There total 9 articles about 5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-AMINE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

5,6-Diphenyl-3H-furo[2,3-d]pyrimidin-4-ylideneamine (5207-52-3) → 4-amino-5,6-diphenylfuro<2,3-b>pyrimidine (5207-52-3)

Guidance literature:

In 1,4-dioxane; water; for 20h; Heating;

DOI:10.1007/BF00528647

Reference yield: 63.0%

2-amino-3-cyano-4,5-diphenylfuran (5503-73-1) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-amino-5,6-diphenylfuro<2,3-b>pyrimidine (5207-52-3)

Guidance literature:

for 2h; Heating;

Reference yield: 47.0%

→ 4-amino-5,6-diphenylfuro<2,3-b>pyrimidine (5207-52-3)

Guidance literature:

upstream raw materials:

2-amino-3-cyano-4,5-diphenylfuran

formamide

N-(4,5-diphenyl-3-cyano-2-furyl)formamidine

Refernces

Structure-based design of novel Chk1 inhibitors: Insights into hydrogen bonding and protein-ligand affinity

10.1021/jm049022c

The research focuses on the discovery, synthesis, and characterization of novel furanopyrimidine and pyrrolopyrimidine inhibitors targeting the Chk1 kinase, a significant enzyme in cancer cell cycle regulation. The study combines computational modeling with experimental validation to optimize inhibitor design. Reactants used in the synthesis include commercially available starting compounds and aminofuran derivatives, which undergo a series of chemical transformations involving condensation, cyclization, chlorination, and displacement reactions to produce the desired inhibitors. 5,6-Diphenylfurano[2,3-d]pyrimidin-4-ylamine, ethanolamine, N-methylethanolamine, glycine, 2-phenylethanol, (2-aminoethyl)-carbamic acid tert-butyl ester and O-methylethanolamine were used as starting materials. The synthesized compounds are then crystallographically analyzed to determine their binding mode to the Chk1 kinase. Experiments include X-ray crystallography to resolve the protein-inhibitor complex structures, kinetic assays to measure inhibitor potency, and molecular modeling to predict binding modes and optimize compound affinity. The research also explores the impact of hydrogen bonding on protein-ligand interactions and binding affinity through structural and thermodynamic analysis.

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