2-Hydroxy-4-phenylbutyric Acid Ethyl Ester-d5

Product Name 2-Hydroxy-4-phenylbutyric Acid Ethyl Ester-d5
CAT No. CS-T-78382
CAS No. 1189892-05-4
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C(OCC)C(O)([2H])C([2H])([2H])C([2H])([2H])C1=CC=CC=C1
Canonical Smiles CCOC(=O)C(CCC1=CC=CC=C1)O
InchIKey ZJYKSSGYDPNKQS-DKFMXDSJSA-N
Inchl InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/i3D,4D,5D,6D,7D
IUPAC ethyl 2-hydroxy-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate
Controlled No
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2-Hydroxy-4-phenylbutyric acid ethyl ester-d5, also known as HPPBE-d5, is a deuterated analog of HPPBE, a compound that has shown potential in the treatment of liver diseases and metabolic disorders. This deuterated form is used in pharmacokinetic studies to track the metabolization and distribution of the original compound in vivo. HPPBE-d5 has the same chemical formula as HPPBE, C12H13NO3, but with five of its hydrogen atoms replaced by deuterium. This isotopic substitution allows for precise determination of the pharmacokinetic parameters of HPPBE, such as its absorption, distribution, metabolism, and excretion. The compound is synthesized by deuteration of HPPBE using deuterated ethanol or deuterated acetic acid as a solvent. It is a white crystalline powder with a molecular weight of 211.26 g/mol and a boiling point of 259.3°C. HPPBE-d5 is sparingly soluble in water but soluble in organic solvents such as ethanol, methanol, and chloroform. In conclusion, 2-Hydroxy-4-phenylbutyric acid ethyl ester-d5 is a deuterated analog of HPPBE used in pharmacokinetic studies to track the metabolization and distribution of the original compound. The isotopic substitution of five hydrogen atoms with deuterium allows for precise determination of pharmacokinetic parameters.

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