ChemicalBook--->CAS DataBase List--->28116-23-6

28116-23-6

28116-23-6 Structure

28116-23-6 Structure
IdentificationBack Directory
[Name]

2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
[CAS]

28116-23-6
[Synonyms]

Hydroxyphenylacetylglycine
CPPDWYIPKSSNNM-UHFFFAOYSA-N
p-Hydroxyphenylacetylglycine
4-Hydroxyphenylacetyl glycine
Glycine, N-[2-(4-hydroxyphenyl)acetyl]-
2-[2-(4-hydroxyphenyl)acetamido]acetic acid
2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
[Molecular Formula]

C10H11NO4
[MDL Number]

MFCD11188516
[MOL File]

28116-23-6.mol
[Molecular Weight]

209.2
Chemical PropertiesBack Directory
[Melting point ]

>144°C (dec.)
[Boiling point ]

563.0±40.0 °C(Predicted)
[density ]

1.356±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.52±0.10(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[Major Application]

clinical testing
[InChI]

1S/C10H11NO4/c12-8-3-1-7(2-4-8)5-9(13)11-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
[InChIKey]

CPPDWYIPKSSNNM-UHFFFAOYSA-N
[SMILES]

OC(CNC(CC1=CC=C(O)C=C1)=O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2924299090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

p-Hydroxyphenylacetylglycine is derived from the metabolism of L-DOPA (D533751), a dopamine precursor that induces dyskinesia in Parkinson’s disease patients. p-Hydroxyphenylacetylglycine is also used as a reagent to synthesize novel piperazine salts that have antimicrobial activity against Escherichia coli and Bacillus subtilis.
[Definition]

ChEBI: Phenylacetylglycine hydroxylated at the phenyl C-4 position.
[Biological Activity]

Hydroxyphenylacetylglycine is an acylglycine. Acylglycines are normally minor metabolites of fatty acids. Howeverthe excretion of certain acylglycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme th at catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. Hydroxyphenylacetylglycine is an endogenous human metabolite. It can be originated from the metabolism of tyramineitself is a monoamine compound derived from the amino acid tyrosine. Hydroxyphenylacetylglycine can also be derived from the metabolism of 3,4-dihydroxyphenylalanine (L-DOPA). In the metabolism of tyrosinethis compound is involved in the reaction Hydroxyphenylacetyl-CoA + Glycine ↔ Hydroxyphenylacetylglycine + Co
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-[[2-(4-hydroxyphenyl)acetyl]amino]acetic acid(28116-23-6)1HNMR
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