Buparlisib

Base Information

• Chemical Name: Buparlisib
• CAS No.: 944396-07-0
• Deprecated CAS: 1202777-78-3
• Molecular Formula: C₁₈H₂₁F₃N₆O₂
• Molecular Weight: 410.399
• Hs Code.: 2934999090
• European Community (EC) Number: 805-442-5
• UNII: 0ZM2Z182GD
• ChEMBL ID: CHEMBL2017974
• DSSTox Substance ID: DTXSID50241486
• Metabolomics Workbench ID: 65876
• NCI Thesaurus Code: C90565
• Nikkaji Number: J3.281.564B
• Pharos Ligand ID: ZYXGQCQ5CXQU
• Wikidata: Q25100534
• Wikipedia: Buparlisib
• Mol file: 944396-07-0.mol

Synonyms:BKM120;buparlisib;NVP-BKM120

Chemical Property of Buparlisib

Chemical Property:

• Boiling Point: 645.7±65.0 °C(Predicted)
• PKA: 5.94±0.50(Predicted)
• PSA: 89.63000
• Density: 1.382
• LogP: 2.52400
• Storage Temp.: -20°C
• Solubility.: Soluble in DMSO (15 mg/ml)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 410.16780842
• Heavy Atom Count: 29
• Complexity: 530

Purity/Quality:

97% ^*data from raw suppliers

NVP-BKM120 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4
• Recent ClinicalTrials: LGX818 and MEK162 in Combination With a Third Agent (BKM120, LEE011, BGJ398 or INC280) in Advanced BRAF Melanoma
• Recent EU Clinical Trials: The BURAN Study of Buparlisib (AN2025) In Combination with Paclitaxel Compared to Paclitaxel Alone, in Patients with Recurrent or Metastatic Head and Neck Squamous Cell Carcinoma
• Recent NIPH Clinical Trials: The BURAN Study of Buparlisib (AN2025) In Combination with Paclitaxel Compared to Paclitaxel Alone, in Patients with Recurrent or Metastatic Head and Neck Squamous Cell Carcinoma
• Description: Buparlisib (944396-07-0) is potent pan-Class I PI3-kinase inhibitor (IC50’s: p110α = 52 nM, p110? = 166 nM, p110δ = 116 nM. P110g = 262 nM).1,2 It inhibited microtubule dynamics at in vitro concentrations >1μM and doses above 50mg/kg in mice.3 Buparlisib lead to a precipitous drop in DNA synthesis in a mouse model of BRCA1-linked triple-negative breast cancer with less affect in normal tissue.4
• Uses: NVP-BKM 120 is a novel anti-tumor active compound that is selective in that it inhibits specifically PI3 kinase activating cell death in glioma cells. Glioma cells being those that proliferate from tu mors in the brain or the spine. NVP-BKM 120 is a novel anti-tumor active compound that is selective in that it inhibits specifically PI3 kinase activating cell death in glioma cells. Glioma cells being those that proliferate from tumors in the brain or the spine.