L-Tyrosine methyl ester - ≥98% , CAS No.1080-06-4

CAS: 1080-06-4 Cat. No.: T105476 Peso molecular: 195.22 Beilstein Registry Number: 2372626 Número EC: 214-095-3

GRADE & PURITY ≥98%

Synonyms

AKOS000302242 | T-9340 | CCRIS 4038 | MLS000028636 | MFCD00002392 | METHYL (S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE | (S)-methyl 2-amino-3-(4-hydroxyphenyl)propanoate | (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid methyl ester | (S)-2-Amino-3-(4-hydroxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS000302242 | T-9340 | CCRIS 4038 | MLS000028636 | MFCD00002392 | METHYL (S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE | (S)-methyl 2-amino-3-(4-hydroxyphenyl)propanoate | (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid methyl ester | (S)-2-Amino-3-(4-hydroxy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184566
• Sonrisas canónicas: COC(=O)C(CC1=CC=C(C=C1)O)N
• IUPAC Name: methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
• InChIKey: MWZPENIJLUWBSY-VIFPVBQESA-N
• INCHI: 1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
• Isómeros SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)O)N
• WGK Alemania: 3
• Peso molecular: 195.22
• Beilstein: 2372626
• Reaxy-Rn: 2110617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 Alpha amino acid esters Amphetamines and derivatives Fatty acid esters Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descripción: 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: L-tyrosyl ester

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

Objetivos asociados (humanos)

PBMC (10003 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

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Leishmania donovani (89745 Activities)

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

Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

Discover Target: Slc15a2

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

Slc16a10 Monocarboxylate transporter 10 (73 Activities)

Discover Target: Slc16a10

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: heat sensitive
• Rotación específica [α]: 27° (C=1,MeOH)
• Punto de fusión (°C): 135-139°C
• Peso molecular: 195.210 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 188.000
• 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