3-O-Methyldopa-d3 - ≥98%(CP),≥99 atom% D , CAS No.586954-09-8

CAS: 586954-09-8 Cat. No.: O646478 Fórmula: C₁₀H₁₀D₃NO₄ Peso molecular: 214.23 Número CE: 801-788-6

GRADE & PURITY ≥98%(CP),≥99 atom% D

Synonyms

L-3-O-Methyl DOPA-d3 | 3-O-Methyl-L-DOPA-d3 | 3-Methoxy-L-tyrosine-d3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

3-O-Methyldopa-d3 (3-Methoxy-L-tyrosine-d3) is deuterium labeled 3-O-Methyldopa . 3-O-Methyldopa is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine.

Specifications

Sinónimos

L-3-O-Methyl DOPA-d3 | 3-O-Methyl-L-DOPA-d3 | 3-Methoxy-L-tyrosine-d3

Especificações e pureza

≥98%(CP),≥99 atom% D

Mecanismos bioquímicos e fisiológicos

3-O-Methyldopa-d 3 is deuterium labeled 3-O-Methyldopa. 3-O-Methyldopa is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%(CP),≥99 atom% D

Nomes e identificadores

Sorrisos canónicos

COC1=C(C=CC(=C1)CC(C(=O)O)N)O

IUPAC Name

2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

InChIKey

PFDUUKDQEHURQC-UHFFFAOYSA-N

INCHI

1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)

SMILES isoméricas

COC1=C(C=CC(=C1)CC(C(=O)O)N)O

CAS alternativo

7636-26-2；300-48-1（unlabelled）

Número NSC

122476

Termos de entrada MeSH

3-methoxydopa;3-methoxytyrosine;3-methoxytyrosine, (D-Tyr)-isomer;3-methoxytyrosine, (DL-Tyr)-isomer;3-methoxytyrosine, (L-Tyr)-isomer;3-methoxytyrosine, (L-Tyr)-isomer, alpha-(14)C-labeled;3-O-methyl-DOPA;3-O-methylDOPA;3-OMD cpd;L-3-methoxytyrosine;L-Ty

Peso molecular

214.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Tyrosine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Phenylpropanoic acids Alpha amino acids Methoxyphenols Amphetamines and derivatives Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: a guaiacol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Peso molecular: 211.210 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 211.084 Da
• Monoisotopic Mass: 211.084 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1