Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5]

General Information
Catalog: BLP-008222
Molecular Formula: C20H23D5N2O9
Molecular Weight: 445.48

General Information

Catalog: BLP-008222

Molecular Formula: C20H23D5N2O9

Molecular Weight: 445.48

Chemical Structure

Description	Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5] is the labelled analogue of Suberoylanilide Hydroxamic Acid β-D-Glucuronide, which is a metabolite of Vorinostat.
Synonyms	Suberoylanilide-d5 Hydroxamic Acid β-D-Glucuronide; 1-O-[[1,8-Dioxo-8-(phenyl-d5-amino)octyl]amino]-β-D-glucopyranuronic Acid; Vorinostat-d5 glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[8-oxo-8-(2,3,4,5,6-pentadeuterioanilino)octanoyl]amino]oxyoxane-2-carboxylic acid
Related CAS	863456-50-2 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC2C(C(C(C(O2)C(=O)O)O)O)O
InChI	InChI=1S/C20H28N2O9/c23-13(21-12-8-4-3-5-9-12)10-6-1-2-7-11-14(24)22-31-20-17(27)15(25)16(26)18(30-20)19(28)29/h3-5,8-9,15-18,20,25-27H,1-2,6-7,10-11H2,(H,21,23)(H,22,24)(H,28,29)/t15-,16-,17+,18-,20-/m0/s1/i3D,4D,5D,8D,9D
InChI Key	AGXZHORDQQELAH-QLOQXHLUSA-N
Melting Point	170-174°C
Purity	≥98%
Solubility	Slightly soluble in Water
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere

Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5], a specialized derivative, utilized in various bioanalytical and pharmacological investigations. Here are the key applications:

Pharmacokinetic Studies: Delving into drug distribution metabolism and excretion, Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5] is a pivotal tool in pharmacokinetic assessments involving histone deacetylase (HDAC) inhibitors. Through its stable isotope-labeled nature, this compound aids researchers in meticulously monitoring and quantifying the drug's bioavailability and metabolic conversions yielding invaluable insights into its effectiveness and safety profile.

Metabolite Identification: In the realm of drug metabolism, this compound acts as an internal standard for identifying and quantifying glucuronide metabolites of HDAC inhibitors. Its incorporation facilitates the precise detection and characterization of drug metabolites using mass spectrometry a critical step in elucidating metabolic pathways and potential drug interactions that may arise.

Histone Deacetylase Inhibition Research: Fueling investigations into histone deacetylase (HDAC) inhibition, Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5] serves as a key component in exploring the mechanisms underlying HDAC inhibition and its implications in cancer therapy and epigenetic regulation. By leveraging this compound, researchers can delve into the development of novel HDAC inhibitors with enhanced therapeutic properties paving the way for cutting-edge treatment approaches.

Epigenetic Studies: At the forefront of epigenetic research, Suberoylanilide Hydroxamic Acid β-D-Glucuronide-[d5] is instrumental in probing the effects of HDAC inhibition on gene expression and chromatin remodeling. Its involvement in modulating acetylation states offers crucial insights into gene regulatory networks and epigenetic modifications essential for identifying new therapeutic targets and unraveling the intricate mechanisms underlying diseases with epigenetic components.