L-Methionine Methyl Ester Hydrochloride - ≥98% , CAS No.2491-18-1

CAS: 2491-18-1 Cat. No.: M109222 Molecular Weight: 199.7 Beilstein Registry Number: 3913214 EC Number: 219-651-9

GRADE & PURITY ≥98%

Synonyms

H-Met-OMe hydrochloride | L-METHIONINE METHYL ESTER HCl | AC-19226 | MFCD00012491 | MPWSRGAWRAYBJK-UHFFFAOYSA-N | H-Met-OMe.HCl | J-300200 | Methyl 2-amino-4-(methylsulfanyl)butanoate | L-methionine, methyl ester hydrochloride | SCHEMBL200899 | Met-OMe. H

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

H-Met-OMe hydrochloride | L-METHIONINE METHYL ESTER HCl | AC-19226 | MFCD00012491 | MPWSRGAWRAYBJK-UHFFFAOYSA-N | H-Met-OMe.HCl | J-300200 | Methyl 2-amino-4-(methylsulfanyl)butanoate | L-methionine, methyl ester hydrochloride | SCHEMBL200899 | Met-OMe. H

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197496
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197496
• Canonical Smiles: COC(=O)C(CCSC)N.Cl
• IUPAC Name: methyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
• InChIKey: MEVUPUNLVKELNV-JEDNCBNOSA-N
• INCHI: 1S/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
• Isomeric SMILES: COC(=O)[C@H](CCSC)N.Cl
• WGK Germany: 3
• Alternate CAS: 10332-17-9
• Molecular Weight: 199.7
• Beilstein: 3913214
• Reaxy-Rn: 3913212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3913212&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Methionine and derivatives
• Alternative Parents: Alpha amino acid esters Fatty acid esters Quaternary ammonium salts Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic chloride salt - Carbonyl group - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Associated Targets(non-human)

metG Methionyl-tRNA synthetase (123 Activities)

Discover Target: metG

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic
• Specific Rotation[α]: [α]D 26° (C=1,H2O)
• Melt Point(°C): 150°C
• Molecular Weight: 199.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 199.043 Da
• Monoisotopic Mass: 199.043 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• 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

References

1. Luyao Zheng, Zhiyuan Zhao, Ye Yang, Yaming Li, Chengxiao Wang.  (2020)  Novel skin permeation enhancers based on amino acid ester ionic liquid: Design and permeation mechanism.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:31953082] [10.1016/j.ijpharm.2020.119031]