4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-9H-fluoren-9-one

• ChemBase ID: 134081
• Molecular Formular: C23H15NO3
• Molecular Mass: 353.3701
• Monoisotopic Mass: 353.10519335
• SMILES: COc1ccc(cc1)c1cnc(o1)c1cccc2c1c1ccccc1C2=O
• Canonical SMILES: COc1ccc(cc1)c1cnc(o1)c1cccc2c1c1ccccc1C2=O
• InChI: InChI=1S/C23H15NO3/c1-26-15-11-9-14(10-12-15)20-13-24-23(27-20)19-8-4-7-18-21(19)16-5-2-3-6-17(16)22(18)25/h2-13H,1H3
• InChIKey: SVICLWPFAQYZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-9H-fluoren-9-one
• IUPAC Traditional name: 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]fluoren-9-one
• Synonyms: 4-[5-(4-Methoxyphenyl)-2-oxazolyl]-9H-Fluoren-9-one; UA62784

Database IDs

• CAS Number: 313367-92-9
• MDL Number: MFCD00489199
• PubChem SID: 162228358
• PubChem CID: 3383533

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4827905
• LogD (pH = 7.4): 4.4827952
• Log P: 4.4827952
• Molar Refractivity: 112.9996 cm^3
• Polarizability: 42.452343 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: >2 mg/mL
• Apperance: lyophilized powder; yellow powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Storage Temperature: -20°C; 2-8°C

Pharmacology Properties

• Gene Information: human ... TNFRSF10C(8794)

Product Information

• Purity: ≥95% (SDS-PAGE); ≥98% (HPLC)
• Suitability: cell culture tested
• Impurities: endotoxin, tested
• Recombinant: expressed in NSO cells
• Mol. Weight: glycosylated form mol wt 75-90 kDa by SDS-PAGE (reducing)
• Empirical Formula (Hill Notation): C23H15NO3

DETAILS

Sigma Aldrich - D9688

Analysis Note
Activity is measured by its ability to inhibit apoptosis of mouse L929 cells treated with 20 ng/mL recombinant human TRAIL or 12 ng/mL cross-linked recombinant human TRAIL.
Biochem/physiol Actions
Glycosyl-phosphatidylinositol-linked membrane protein that is a member of the TNF receptor family. Acts as a decoy receptor that inhibits TRAIL signaling.
UA62784 is a specific inhibitor of centromere protein E (CENPE) kinesin-like protein; mitotic inhibitor. CENP-E is a kinesin-like motor protein that localizes to the kinetochore during mitosis and is essential for bipolar spindle formation. UA62784 is a novel specific inhibitor of CENP-E, which likely binds within the motor domain of CENP-E. UA62784 causes reversible cell cycle arrest in mitosis before metaphase, which leads to apoptosis. The compound is not interacting with microtubules directly.
Physical form
Lyophilized from a 0.2 μm filtered solution in phosphate buffered saline containing 5.0 mg bovine serum albumin.

Sigma Aldrich - U3385

Biochem/physiol Actions
UA62784 is a specific inhibitor of centromere protein E (CENPE) kinesin-like protein; mitotic inhibitor. CENP-E is a kinesin-like motor protein that localizes to the kinetochore during mitosis and is essential for bipolar spindle formation. UA62784 is a novel specific inhibitor of CENP-E, which likely binds within the motor domain of CENP-E. UA62784 causes reversible cell cycle arrest in mitosis before metaphase, which leads to apoptosis. The compound is not interacting with microtubules directly.