CAS 775304-57-9|Ataluren|PTC124|3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid|ataluren|Ataluren|3-(5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid

General Information

Structure

Molecular Formula

C₁₅H₉FN₂O₃

Molecular Mass

284.2419632

Exact Mass

284.05972038

Charge

InChI

InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)

InChIKey

OOUGLTULBSNHNF-UHFFFAOYSA-N

Canonic Smiles

Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O

Isomeric Smiles

c1c(cccc1C(=O)O)c1noc(n1)c1ccccc1F

Calculated Properties

JChem

Acid pKa

3.9006183

H Acceptors

H Donor

LogD (pH = 5.5)

2.3136253

LogD (pH = 7.4)

0.6775237

Log P

3.9193923

Molar Refractivity

94.6594

Polarizability

28.013302

Polar Surface Area

76.22

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

AtalurenPTC124Ataluren3-(5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid

IUPAC name

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

IUPAC Traditional name

ataluren

Names and Identifiers

Registration numbers

Chemspider ID

PubChem CID

KEGG ID

Wikipedia Title

CAS Number

CHEMBL

PubChem SID

Registration numbers

Properties

Safety Information

Storage Condition

-20°C

Physical Property

Solubility

DMSO

Product Information

Salt Data

Free Base

Purity

95+%

97%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Selleck Chemicals

S6003

Research Area

Description

Inflammation

Protocol

Kinase Assay ^[1]

Assays for read-through of LUC premature termination codons

Stock solutions of PTC124 (6 mM) are prepared in 100% DMSO HEK293 cells grown in a medium containing fetal bovine serum (FBS) and are stably transfected with LUC genes containing premature terminators at codon 190 (and 11 contextual variants thereof), treated with increasing concentrations of PTC124 for 16 hours, and assayed for luciferase activity. Luminescence of each culture relative to the control is quantified by standard procedures using a Viewlux CCD imager. Luminescence data are normalized to that produced with DMSO, and the fold suppression over background is calculated as (PTC124_{light units}/DMSO_{light units}).