3-Methoxy-dl-tyrosine

DL-3-O-METHYL-DOPA · Dl -3-0-methyl-dopa · 3-Methoxy-DL-tyrosine · 3-Methoxy-DL-tyrosine 95% · 3-METHOXY-DL-TYROSINE USP/EP/BP · DL-4-HYDROXY-3-METHOXYPHENYLALANINE · (DL)-3-O-Methyldopa (Levodopa Related CoMpound B) · 2-AMINO-3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACID

https://huagongshe.com/ja/chemical/1670

識別子と物理属性

CAS No.	4214-13-5
分子式	C10H13NO4
平均分子量	211.21 g/mol
単同位体質量	211.0844579 g/mol
SMILES	COc1cc(CC(N)C(=O)O)ccc1O
InChIKey	PFDUUKDQEHURQC-UHFFFAOYSA-N
PubChem CID	1670
ChEBI	CHEBI:172453
EC No.	641-978-4
DTXSID	DTXSID50864098

化学・物理的性質

XLogP	-2.4
極性表面積	92.8
水素結合供与体数	3
水素結合受容体数	5
回転可能結合数	4
重原子数	15
形式電荷	0
複雑度	221
Physical Description	Solid
Collision Cross Section	148.1 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]153.4 Å² [M+H]+

安全性と法規制

GHS 分類	WarningH302 (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.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard Classes and Categories	Acute Tox. 4 (75%)
健康影響	Chronically high levels of 3-methoxytyrosine are associated with Aromatic L-Amino acid Decarboxylase Deficiency.
毒性の概要	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)
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).