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3-Methoxy-dl-tyrosine

HCID 1670
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
4214-13-5
Standard-SMILES
COc1cc(CC(N)C(=O)O)ccc1O
InChIKey
PFDUUKDQEHURQC-UHFFFAOYSA-N
Summenformel
C10H13NO4
Durchschnittliche Molmasse
211,21 g/mol
Monoisotopische Masse
211,0844579

Überblick

3-Methoxytyrosine is a tyrosine derivative.

Namen und Bezeichner

Bevorzugter Name
3-Methoxy-dl-tyrosine
IUPAC
2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Englischer Name
3-Methoxy-DL-tyrosine
Summenformel
C10H13NO4
Molmasse
211.21

Namen und Synonyme

7636-26-23-Methoxytyrosine3-METHOXY-DL-TYROSINEvanilalanineL-3-MethoxytyrosineTyrosine, 3-methoxy-SO86T1OB2PNSC-1224763-O-METHYLDOPA, DL-DTXSID508640983-MethoxydopaL-4-Hydroxy-3-methoxyphenylalanine
Weitere Namen anzeigen
DL-3-O-METHYL-DOPADl -3-0-methyl-dopa3-Methoxy-DL-tyrosine 95%3-METHOXY-DL-TYROSINE USP/EP/BPDL-4-HYDROXY-3-METHOXYPHENYLALANINE(DL)-3-O-Methyldopa (Levodopa Related CoMpound B)3-O-MethyldopaQ: What is 3-O-Methyldopa Q: What is the CAS Number of 3-O-Methyldopa Q: What is the storage condition of 3-O-Methyldopa Q: What are the applications of 3-O-Methyldopa
3-O-methyl-DOPARefChem:504546DTXCID408126493-OMD cpd2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid4214-13-5DL-Tyrosine, 3-methoxy-3-O-Methyldopa d3

Datenbank-Bezeichner

CAS
4214-13-5、7636-26-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-2,4
Polarare Oberfläche (TPSA)
92,8 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
4
Schwere Atome
15
Formalladung
0
Komplexität
221

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid
Collision Cross Section · 2 Einträge

148.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

153.4 Ų [M+H]+

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Toxikologische Informationen

Health EffectsChronically high levels of 3-methoxytyrosine are associated with Aromatic L-Amino acid Decarboxylase Deficiency.
Toxicity Summary · 1 Eintrag

Methoxytyrosine is one of the main biochemical markers for aromatic L-amino acid decarboxylase deficiency, an inborn error of metabolism that affects serotonin and dopamine biosynthesis. 3-Methoxytyrosine is elevated in CSF, plasma, and urine. Catechol-O-methyl transferase is the enzyme in charge of 3-methoxytyrosine formation, which is produced from L-DOPA in many organs. Nevertheless, its half-life (15 hours approximately) is longer than the L-DOPA 's half-life, which is about one hour. This means that it is accumulated in the plasma and the brain of chronic L-DOPA therapy patients such as people suffering from Parkinson's disease. 3-Methoxytyrosine has some effects on L-DOPA related motor dysfunction, inhibition of striatal uptake of tyrosine, competition with L-DOPA for the blood–brain barrier transporter system and inhibition of dopamine release. 3-Methoxytyrosine increases homocysteine levels, and this amino acid induces cardiovascular disease and neuronal damage. Some other toxic effects could be oxidative DNA damage which can cause cell death, a decrease in locomotor activities and diminishment in mitochondrial membrane potential. (Wikipedia)

Chemie und Industrie

Verwendung und Herstellung

UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.

Anbieter4 Anbieter

上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1889152
HRID 1889152als Eduktuspto-grants-2013_08
Reaktionsgleichung von HRID 2410637
HRID 2410637als Eduktuspto-grants-2014_08

Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
PubChem CID
1670
DTXSID
DTXSID50864098
ChEBI
CHEBI:172453
UNII
SO86T1OB2P
EC Number
641-978-4、801-788-6
Nikkaji
J27.603K
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).