1169558-38-6

Basic information

• Product Name: Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-
• Synonyms: Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-;XL 413;XL413;BMS863233;BMS863233(salt);8-Chloro-2-(2S)-2-pyrrolidinylbenzofuro[3,2-d]pyrimidin-4(3H)-one;BMS-863233 base
• CAS NO: 1169558-38-6
• Molecular Formula: C14H12ClN3O2
• Molecular Weight: 289.71698
• Mol File: 1169558-38-6.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.69±0.1 g/cm3(Predicted)
• PKA: 8.38±0.20(Predicted)
• CAS DataBase Reference: Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-(1169558-38-6)
• EPA Substance Registry System: Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-(1169558-38-6)

Safety Data

• Hazardous Substances Data: 1169558-38-6(Hazardous Substances Data)

Usage

General Description

Benzofuro[3,2-d]pyrimidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl- is a chemical compound with the molecular formula C15H14ClN3O2. It is a heterocyclic organic compound that contains a benzofuran ring fused to a pyrimidine ring. The compound also contains a chloride and a pyrrolidine group, which imparts specific chemical and pharmacological properties to the molecule. Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl- has been studied for its potential therapeutic applications, particularly in the field of medicinal chemistry and drug discovery. Its unique structure and properties make it a valuable target for further research and development in the pharmaceutical industry.

Upstream product

• 13589-72-5 5-chloro-2-hydroxybenzonitrile 
• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 294878-00-5 3-amino-5-chlorobenzofuran-2-carboxamide 
• 1169561-46-9 C₉H₇ClN₂O₂ 
• 1169749-58-9 C₁₄H₁₄ClN₃O₃ 

Relevant articles and documents

Discovery of XL413, a potent and selective CDC7 inhibitor

CDC7 is a serine/threonine kinase that has been shown to be required for the initiation and maintenance of DNA replication. Up-regulation of CDC7 is detected in multiple tumor cell lines, with inhibition of CDC7 resulting in cell cycle arrest. In this paper, we disclose the discovery of a potent and selective CDC7 inhibitor, XL413 (14), which was advanced into Phase 1 clinical trials. Starting from advanced lead 3, described in a preceding communication, we optimized the CDC7 potency and selectivity to demonstrate in vitro CDC7 dependent cell cycle arrest and in vivo tumor growth inhibition in a Colo-205 xenograft model.