8-(4-Dibenzothienyl)-2-(4-morpholinyl)-4H-1-benzopyran-4-one

Base Information

• Chemical Name: 8-(4-Dibenzothienyl)-2-(4-morpholinyl)-4H-1-benzopyran-4-one
• CAS No.: 503468-95-9
• Molecular Formula: C25H19NO3S
• Molecular Weight: 413.49
• UNII: XF6ZJD5WGU
• ChEMBL ID: CHEMBL188678
• DSSTox Substance ID: DTXSID60462509
• Nikkaji Number: J2.403.740A
• Pharos Ligand ID: 62G5133BSWJ8
• Wikidata: Q27088099
• Mol file: 503468-95-9.mol

Synonyms:8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one;KU57788;NU 7441;NU-7441;NU7441

Chemical Property of 8-(4-Dibenzothienyl)-2-(4-morpholinyl)-4H-1-benzopyran-4-one

Chemical Property:

• Vapor Pressure: 1.27E-16mmHg at 25°C
• Melting Point: 220-221 °C
• Refractive Index: 1.731
• Boiling Point: 646.9 °C at 760 mmHg
• PKA: 0.51±0.20(Predicted)
• Flash Point: 345 °C
• PSA: 70.92000
• Density: 1.376 g/cm³
• LogP: 5.72950
• Storage Temp.: Store at +4°C
• Solubility.: Soluble in DMSO (up to 10 mg/ml with warming).
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 413.10856464
• Heavy Atom Count: 30
• Complexity: 690

Purity/Quality:

99% ^*data from raw suppliers

NU7441 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56
• Description: DNA-dependent protein kinase (DNA-PK) catalyzes nonhomologous end-joining, which is required to repair lethal DNA double-strand breaks. Because cells that are defective in DNA double-strand break repair are highly sensitive to ionizing radiation and topoisomerase II poisons, modulating DNA-PK is one strategy to defer cancer cell resistance to radiation or chemotherapeutic treatments. NU 7441 is a selective DNA-PK inhibitor with an IC50 value of 14 nM. It inhibits other members of the PI3K-related kinase family, including mTOR, PI3K, ataxia telangiectasia mutated (ATM), and ataxia telangiectasia and Rad3 related (ATR) with IC50 values of 1.7, 5, >100, and >100 μM, respectively. NU 7441 has been shown to increase the cytotoxicity of ionizing radiation and etoposide in human colon cancer cell lines in vitro and to potentiate the effects of etoposide in mice bearing human colon cancer xenograft tumors in vivo.
• Uses: A potent novel DNA-dependent protein kinase inhibitor models of human cancer A potent and selective DNA-PK inhibitor with an IC50 of 14 nM. A potent novel DNA-dependent protein kinase inhibitor models of human cancer. Antitumor agent.