DL-Methionine Methylsulfonium Chloride - ≥99% , CAS No.3493-12-7

CAS: 3493-12-7 Cat. No.: S161187 Peso molecular: 199.69 Número EC: 222-484-4

GRADE & PURITY ≥99%

Synonyms

S-METHYLMETHIONINE DL-FORM CHLORIDE [MI] | VITAS-U | NCGC00167557-01 | Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, (+-)- | (3-Amino-3-carboxypropyl)dimethylsulfonium Chloride | (3-Amino-3-carboxypropyl)dimethylsulfonium chloride, dl- | Cabagi

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

DL-Methionine methylsulfonium (DL-MMSC), a racemic mixture, is used to study its mechanism of protection against gastric ulceration. DL-MMSC may also be used as a methionine analogue. S-Methionine methylsulfonium (SMMS) chloride is a derivative of methionine metabolism in some plants. SMMS has potent therapeutic effects on gastrointestinal ulceration potentially via its ability to promote dermal fibroblast migration and growth.

Specifications

Sinónimos

S-METHYLMETHIONINE DL-FORM CHLORIDE [MI] | VITAS-U | NCGC00167557-01 | Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, (+-)- | (3-Amino-3-carboxypropyl)dimethylsulfonium Chloride | (3-Amino-3-carboxypropyl)dimethylsulfonium chloride, dl- | Cabagi

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181953
• Sonrisas canónicas: C[S+](C)CCC(C(=O)O)N.[Cl-]
• IUPAC Name: (3-amino-3-carboxypropyl)-dimethylsulfanium;chloride
• InChIKey: MYGVPKMVGSXPCQ-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H
• Isómeros SMILES: C[S+](C)CCC(C(=O)O)N.[Cl-]
• CAS alternativo: 13065-25-3
• Peso molecular: 199.69
• Reaxy-Rn: 4163617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163617&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 Methionine 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: Methionine and derivatives
• Alternative Parents: Alpha amino acids Thia fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organosulfur compounds Organopnictogen compounds Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methionine or derivatives - Alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic chloride salt - Organic oxygen compound - Organic salt - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Peso molecular: 199.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 199.043 Da
• Monoisotopic Mass: 199.043 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Jiang Ruixuan, Yun Yikai, Sun Kexuan, Cui Xinyue, Zhang Qi, Hu Chang, Jin Chengkai, Kong Qiumin, Liu Yuqiang, Gong Junbo, He Sisi, Qiu Longbin, Liu Chang, Bai Sai, Li Cheng, Bo Zhishan, Huang Fuzhi, Cheng Yi-Bing, Bu Tongle.  (2026)  Crystallization modulation for wide-bandgap perovskites with universal defect passivation toward efficient perovskite/organic tandem photovoltaics.  Nature Communications,      [PMID:41484151] [10.1038/s41467-025-68125-1]