Zosuquidar

Base Information

• Chemical Name: Zosuquidar
• CAS No.: 167354-41-8
• Molecular Formula: C₃₂H₃₁F₂N₃O₂
• Molecular Weight: 527.614
• European Community (EC) Number: 808-610-6
• UNII: AB5K82X98Y
• DSSTox Substance ID: DTXSID9057894
• Nikkaji Number: J918.252G
• Wikipedia: Zosuquidar
• NCI Thesaurus Code: C76198
• Pharos Ligand ID: 2R37MZPB9CZF
• ChEMBL ID: CHEMBL444172,CHEMBL3907347
• Mol file: 167354-41-8.mol

Synonyms:(2R)-anti-5-(3-(4-(10,11-difluoromethanodibenzo-suber-5-yl)piperazin-1-yl)2-hydroxypropoxy)quinoline trihydrochloride;LY 335979;LY335979;RS 33295-198;RS-33295-198;zosuquidar trihydrochloride

Chemical Property of Zosuquidar

Chemical Property:

• Refractive Index: 1.691
• Boiling Point: 690.5°C at 760mmHg
• Flash Point: 371.4°C
• PSA: 48.83000
• Density: 1.369 g/cm³
• LogP: 5.08720
• Storage Temp.: ?20°C
• Solubility.: H2O: soluble4mg/mL, clear (warmed)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 527.23843356
• Heavy Atom Count: 39
• Complexity: 806

Purity/Quality:

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

Zosuquidar hydrochloride ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5C6C(C6(F)F)C7=CC=CC=C47
• Isomeric SMILES: C1CN(CCN1C[C@H](COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47
• Recent ClinicalTrials: Daunorubicin & Cytarabine +/- Zosuquidar inTreating Older Patients With Newly Diagnosed Acute Myeloid Leukemia or Refractory Anemia
• Uses: Treatment of multidrug resistance (modulator of Pgp resistance).