Methyldopa Sesquihydrate - Moligand™, ≥98% , CAS No.41372-08-1

CAS: 41372-08-1 Cat. No.: M129977 Peso molecular: 238.24 Número EC: 609-918-1

GRADE & PURITY Moligand™, ≥98%

Synonyms

L-(-)--Methyldopa (hydrate) | Racemic methyldopa | (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid hydrate | A825537 | L-Tyrosine, 3-hydroxy-a-methyl-, hydrate (2:3) | (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate | L-(-)-alpha-M

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Methyldopa Sesquihydrate is an alpha adrenergic agonist, and is also a precursor that is metabolized in the central nervous system.

Specifications

Sinónimos

L-(-)--Methyldopa (hydrate) | Racemic methyldopa | (S)-2-amino-3-(3, 4-dihydroxyphenyl)-2-methylpropanoic acid hydrate | A825537 | L-Tyrosine, 3-hydroxy-a-methyl-, hydrate (2:3) | (-)-3-(3, 4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate | L-(-)-alpha-M

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

L-α-Methyl-DOPA · sesquihydrate is a DDC (L-Aromatic amino acid decarboxylase) inhibitor. Adrenergic inhibiting agent used for antihypertensive treatment.α2 adrenoceptor agonist. Competitive DOPA decarboxylase inhibitor. Centrally and peripherally acting.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Propiedades del producto

• ALogP: -1.9

Nombres e identificadores

• Sonrisas canónicas: O.O.O.C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O.C[C@](N)(Cc2ccc(O)c(O)c2)C(O)=O
• IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrate
• InChIKey: XDJUBZFLFDODNF-PPHPATTJSA-N
• INCHI: 1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1
• Isómeros SMILES: C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O
• CAS alternativo: 555-30-6
• Peso molecular: 238.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: D-alpha-amino acids Amphetamines and derivatives Phenylpropanes Catechols Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-amino acid - D-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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 (humanos)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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 (sparingly), 0.1M HCl (5 %, clear, colorless to faint yellow solution), and dilute mineral acids. Almost insoluble in common organic solvents.
• Sensibilidad: Light & Air & Moisture sensitive
• Punto de fusión (°C): >300°C
• Peso molecular: 229.230 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 229.095 Da
• Monoisotopic Mass: 229.095 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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: 2

XLogP3

Referencias

1. Nengtao Wu, Aiwen Yu, Lingbo Zhang, Wanqiang Liu, Jinwei Gao, Chengcheng Zhang, Yuhui Zheng.  (2019)  Biocompatible Nanoplatform Based on Mussel Adhesive Chemistry: Effective Assembly, Dual Mode Sensing, and Cellular Imaging Performance.  Advanced Materials Interfaces,  6  (17): (1900732).  [PMID:] [10.1002/admi.201900732]

2. Mingyu Wang, Haofei Sun, Xinyi Bai, Bo Su, Kai Li, Shengbo Zhang, Hailin Cui, Cunlin Zhang, Zhaoxin Geng.  (2025)  Characterization and Property Study of Binary Cocrystal of L-methyldopa and D-mannitol Using Terahertz Spectroscopy and Density Functional Theory.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.143929]