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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

4-Phenylbutyric Acid-[d11]

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General Information
Catalog: BLP-010627
CAS: 358730-86-6
Molecular Formula: C10HD11O2
Molecular Weight: 175.27
Chemical Structure
4-Phenylbutyric Acid-[d11]
Description 4-Phenylbutyric acid-d11 (4-PBA-d11) is the deuterium labeled 4-Phenylbutyric acid. 4-Phenylbutyric acid (4-PBA) is an inhibitor of HDAC and endoplasmic reticulum (ER) stress, used in cancer and infection research.
Synonyms 4-Phenylbutyric D11 Acid; Benzene-d5-butanoic-d6 Acid; Benzenebutanoic Acid-d11; 4-Phenyl-n-butyric Acid-d11; γ-Phenylbutanoic Acid-d11; NSC 295-d11
IUPAC Name 2,2,3,3,4,4-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)butanoic acid
Related CAS 1821-12-1 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O)[2H])[2H]
Canonical SMILES C1=CC=C(C=C1)CCCC(=O)O
InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)/i1D,2D,3D,4D2,5D,6D,7D2,8D2
InChI Key OBKXEAXTFZPCHS-VRWITDQQSA-N
Melting Point 48-50°C
Purity ≥99%; ≥99% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance White Solid
Application A chemical chaperone involved in protein-folding disorders.
Storage Store at 2-8°C
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