Mubritinib

Base Information

• Chemical Name: Mubritinib
• CAS No.: 366017-09-6
• Molecular Formula: C25H23F3N4O2
• Molecular Weight: 468.47
• UNII: V734AZP9BR
• DSSTox Substance ID: DTXSID501026014
• Nikkaji Number: J2.023.279J
• Wikipedia: Mubritinib
• Wikidata: Q6930896
• NCI Thesaurus Code: C66212
• Pharos Ligand ID: NV1P8D6M293J
• Metabolomics Workbench ID: 153628
• ChEMBL ID: CHEMBL1614707
• Mol file: 366017-09-6.mol

Synonyms:mubritinib;TAK-165

Chemical Property of Mubritinib

Chemical Property:

• Vapor Pressure: 2.43E-15mmHg at 25°C
• Melting Point: 158.0 to 162.0 °C
• Refractive Index: 1.577
• Boiling Point: 620.897 °C at 760 mmHg
• PKA: 1.45±0.10(Predicted)
• Flash Point: 329.307 °C
• PSA: 65.97000
• Density: 1.258 g/cm³
• LogP: 6.05720
• Storage Temp.: Store at +4°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 468.17731048
• Heavy Atom Count: 34
• Complexity: 620

Purity/Quality:

98%,99%, ^*data from raw suppliers

TAK 165 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)/C=C/C4=CC=C(C=C4)C(F)(F)F
• Recent ClinicalTrials: Safety and Tolerability Study of TAK-165 in Subjects With Tumors Expressing HER2
• Uses: Mubritinib is used in selective targeting of CTNNB1-, KRAS-or MYC-driven human cancer cell growth by combinations of existing drugs