3-O-Methyldopa - ≥96% , CAS No.300-48-1

CAS: 300-48-1 Cat. No.: O651183 Fórmula: C₁₀H₁₃NO₄ Peso molecular: 211.21 PubChem CID: 9307

GRADE & PURITY ≥96%

Synonyms

3-O-METHYLDOPA | (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid | L-3-O-Methyl-DOPA | 3-O-Methyl Dopa | 3-METHOXY-L-TYROSINE | CHEBI:82913 | (S)-2-Amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid | V3O7J20DWN | 3-Methoxy-L-Tyrosine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

3-O-Methyldopa (3-Methoxy-L-tyrosine) 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

3-O-METHYLDOPA | (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid | L-3-O-Methyl-DOPA | 3-O-Methyl Dopa | 3-METHOXY-L-TYROSINE | CHEBI:82913 | (S)-2-Amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid | V3O7J20DWN | 3-Methoxy-L-Tyrosine

Especificações e pureza

≥96%

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

≥96%

Nomes e identificadores

• Pubchem Sid: 528758307
• Sorrisos canónicos: COC1=C(C=CC(=C1)CC(C(=O)O)N)O
• IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
• InChIKey: PFDUUKDQEHURQC-ZETCQYMHSA-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)/t7-/m0/s1
• SMILES isoméricas: COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O
• CAS alternativo: 300-48-1
• PubChem CID: 9307
• 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: 211.21

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 Amphetamines and derivatives L-alpha-amino acids Methoxyphenols Phenoxy compounds Anisoles Methoxybenzenes Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Amino acids Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Methoxyphenol - L-alpha-amino acid - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Phenol - Alkyl aryl ether - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Primary amine - 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: non-proteinogenic L-alpha-amino acid - L-tyrosine derivative - monomethoxybenzene

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

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: H2O : 16.67 mg/mL (78.93 mM; Need ultrasonic)
• 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: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1