3-Hydroxy-N-methyl-L-tyrosine

HCID 23620856

基本情報

CAS: 70152-53-3
標準SMILES: CN[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
InChIKey: QZIWDCLHLOADPK-ZETCQYMHSA-N
分子式: C10H13NO4
平均分子量: 211.21 g/mol
単同位体質量: 211.0844579

概要

N-methyl-L-dopa is the L-enantiomer of N-methyldopa. It is functionally related to a L-dopa. It is an enantiomer of a N-methyl-D-dopa. It is a tautomer of a N-methyl-L-dopa zwitterion.

名称と識別子

優先名称: 3-Hydroxy-N-methyl-L-tyrosine
IUPAC: (2S)-3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acid
英語名: N-Methyldopa
分子式: C10H13NO4
分子量: 211.21

名称と別名

N-Methyl-L-DOPA3-Hydroxy-N-methyl-L-tyrosine(2S)-3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acidCHEBI:167646DTXSID20635212N-methyl-3,4-dihydroxy-L-phenylalaninebeta-(3,4-dihydroxyphenyl)-N-methyl-L-alanineRefChem:279940DTXCID0058596370152-53-3(-)methyl-dopa3-Hydroxy-N-methyl-L-tyrosine; 3-(3,4-Dihydroxyphenyl)-N-methylalanine; ss-(3,4-Dihydroxyphenyl)-N-methylalanine; N-Methyldopa;

名称をさらに表示

N-MethyldopaL-Tyrosine, 3-hydroxy-N-methyl-β-(3,4-Dihydroxyphenyl)-N-Methylalanine3-(3,4-Dihydroxyphenyl)-N-Methylalanine

SCHEMBL2283369QZIWDCLHLOADPK-ZETCQYMHSA-NDB-231540

データベース識別子

CAS: 70152-53-3
PubChem CID: 23620856
DTXSID: DTXSID20635212
ChEBI: CHEBI:167646
Nikkaji: J1.297.759J

物性

構造計算による物性

XLogP: -2.2
極性表面積: 89.8 Å²
水素結合供与体数: 4
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

物理化学的性質

Melting point: 261 °C · >261°C (dec.)
Boiling point: 436.3 · 436.3±45.0 °C(Predicted)
Density: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer
solubility: Aqueous Acid (Slightly), Aqueous Base (Slightly)
pka: 2.25 · 2.25±0.26(Predicted)
form: Solid
color: White to Off-White

化学と産業

応用分野

UsesN-Methyl-L-DOPA is a methylated L-DOPA that can act as a potential alternative substrate or competitive inhibitor of tyrosinase.

サプライヤー8 社

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圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]

補足説明

DefinitionChEBI: N-methyl-L-dopa is the L-enantiomer of N-methyldopa. It is functionally related to a L-dopa. It is an enantiomer of a N-methyl-D-dopa. It is a tautomer of a N-methyl-L-dopa zwitterion.