DL-Ethionine - ≥98% , CAS No.67-21-0

CAS: 67-21-0 Cat. No.: E117217 Molecular Weight: 163.24 Beilstein Registry Number: 1722529 EC Number: 200-647-0

GRADE & PURITY ≥98%

Synonyms

DL-Ethionine, >=95% (TLC) | E0038 | (.+/-.)-Ethionine | Butyric acid, DL-2-amino-4-(ethylthio)- | NSC 751 | CCRIS 288 | Aethionin | 2-amino-4-ethylsulfanylbutanoic acid | 2-amino-4-ethylsulfanyl-butanoic acid | AKOS003389839 | SCHEMBL8966 | 4-04-00-03194

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

DL-Ethionine, >=95% (TLC) | E0038 | (.+/-.)-Ethionine | Butyric acid, DL-2-amino-4-(ethylthio)- | NSC 751 | CCRIS 288 | Aethionin | 2-amino-4-ethylsulfanylbutanoic acid | 2-amino-4-ethylsulfanyl-butanoic acid | AKOS003389839 | SCHEMBL8966 | 4-04-00-03194

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

DL-Ethionine is a racemic mixture of the antimethylating agent L-Ethionine and its enantiomer D-Ethionine. DL-ethionine as a dietary supplement accelerates cholangiocarcinoma in vivo. DL-Ethionine is used to induce oxidative stress in the liver and to stu

Storage

Protected from light, Store at -20°C, Desiccated

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: 504751024
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751024
• Canonical Smiles: CCSCCC(C(=O)O)N
• IUPAC Name: 2-amino-4-ethylsulfanylbutanoic acid
• InChIKey: GGLZPLKKBSSKCX-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
• Isomeric SMILES: CCSCCC(C(=O)O)N
• WGK Germany: 3
• RTECS: ES6825200
• Molecular Weight: 163.24
• Beilstein: 1722529
• Reaxy-Rn: 1722529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722529&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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: Thia fatty acids Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Amine - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: organic sulfide - non-proteinogenic alpha-amino acid

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

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A498 (42825 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in hot Water very faint turbidity
• Sensitivity: Light sensitive.
• Melt Point(°C): 265-268°C
• Molecular Weight: 163.240 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 163.067 Da
• Monoisotopic Mass: 163.067 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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: 1

References

1. Xin Liu, Wu Luo, Jiahao Chen, Chenghong Hu, Rumbidzai N. Mutsinze, Xu Wang, Yanmei Zhang, Lijiang Huang, Wei Zuo, Guang Liang, Yi Wang.  (2022)  USP25 Deficiency Exacerbates Acute Pancreatitis via Up-Regulating TBK1–NF-κB Signaling in Macrophages.  Cellular and Molecular Gastroenterology and Hepatology,      [PMID:35934222] [10.1016/j.jcmgh.2022.07.013]

2. Gaoyuan Yang, Qin Zhou, Can Wang, Qiu Xiong, Yida Wang, Chenyang Zhu, Yuheng Li, Yao Wang, Lei Wang, Guijie Liang, Lin-Long Deng, Peng Gao, Wensheng Yan.  (2025)  Constructing Stabilized Buried Interface via a Robust Molecule Bridge for High-Performance Perovskite Photovoltaics.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202501850]