BOC-L-Methionine - ≥99% , CAS No.2488-15-5

CAS: 2488-15-5 Cat. No.: B113131 Molecular Weight: 249.33 Beilstein Registry Number: 1727869 EC Number: 219-639-3

GRADE & PURITY ≥99%

Synonyms

3-METHYL-2-PYRIDINEMETHANAMINE | D70229 | N-(tert-Butoxycarbonyl)(methyl)homocysteine # | N-tert-butoxycarbonyl L-methionine | B1636 | (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acid | (S)-N-(tert-butoxycarbonyl)methionine | Boc-Met-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3-METHYL-2-PYRIDINEMETHANAMINE | D70229 | N-(tert-Butoxycarbonyl)(methyl)homocysteine # | N-tert-butoxycarbonyl L-methionine | B1636 | (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanoic acid | (S)-N-(tert-butoxycarbonyl)methionine | Boc-Met-

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504756003
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756003
• Canonical Smiles: CC(C)(C)OC(=O)NC(CCSC)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
• InChIKey: IMUSLIHRIYOHEV-ZETCQYMHSA-N
• INCHI: 1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)O
• WGK Germany: 3
• Molecular Weight: 249.33
• Beilstein: 1727869
• Reaxy-Rn: 1727870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727870&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: Thia fatty acids Branched fatty acids Carbamate esters Organic carbonic acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Branched fatty acid - Thia fatty acid - Fatty acid - Fatty acyl - Carbamic acid ester - Carbonic acid derivative - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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

• Specific Rotation[α]: -22 ° (C=1.3, AcOH)
• Melt Point(°C): 47-50°C
• Molecular Weight: 249.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 249.103 Da
• Monoisotopic Mass: 249.103 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• 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