Name: 4-Phenylbutyric Acid-[d11]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-010627

CAS: 358730-86-6

Molecular Formula: C10HD11O2

Molecular Weight: 175.27

Chemical Structure

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