Methyldopate - Moligand™, ≥98% , CAS No.6014-30-8

CAS: 6014-30-8 Cat. No.: M333771 Fórmula: C₁₂H₁₇NO₄ Peso molecular: 239.27

GRADE & PURITY Moligand™, ≥98%

Synonyms

alpha-methyl-L-dopa ethyl ester | alpha-Methyldopa ethyl ester | Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate | SCHEMBL297359 | ethyl 3-hydroxy-alpha-methyl-L-tyrosinate | 3-Hydroxy-alpha-methyl-L-tyrosine ethyl ester

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Methyldopate is an ethyl ester proagent of α-Methyldopa (α-MD). Methyldopa (L-(-)-α-Methyldopa) is an α-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopate has the potential for severe hypertension research。

Specifications

Sinónimos

alpha-methyl-L-dopa ethyl ester | alpha-Methyldopa ethyl ester | Ethyl (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate | SCHEMBL297359 | ethyl 3-hydroxy-alpha-methyl-L-tyrosinate | 3-Hydroxy-alpha-methyl-L-tyrosine ethyl ester

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N
• IUPAC Name: ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
• InChIKey: SVEBYYWCXTVYCR-LBPRGKRZSA-N
• INCHI: 1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1
• Isómeros SMILES: CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N
• CAS alternativo: 2508-79-4
• Peso molecular: 239.27
• Reaxy-Rn: 2654449
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2654449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Alpha amino acids and derivatives Phenylpropanes Catechols Fatty acid esters Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Fatty acid ester - Fatty acyl - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: Not available

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 (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive；Light sensitive
• Punto de fusión (°C): 55-56° C
• Peso molecular: 239.270 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 239.116 Da
• Monoisotopic Mass: 239.116 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 271.000
• 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