L-Ethionine - ≥99% , CAS No.13073-35-3

CAS: 13073-35-3 Cat. No.: E117218 Formula: C₆H₁₃NO₂S Molecular Weight: 163.24 EC Number: 235-966-4

GRADE & PURITY ≥99%

Synonyms

EINECS 235-966-4 | AKOS016844009 | NCIStruc2_000170 | Q5403506 | HOMOCYSTEINE S-ETHYL ETHER | HSDB 5080 | L-Ethionine, 98% | BDBM50179693 | NSC-97927 | NCGC00014018-02 | NSC 82393 | ETHIONINE [HSDB] | NCIStruc1_000100 | (2S)-2-amino-4-(ethylsulfanyl)butan

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 235-966-4 | AKOS016844009 | NCIStruc2_000170 | Q5403506 | HOMOCYSTEINE S-ETHYL ETHER | HSDB 5080 | L-Ethionine, 98% | BDBM50179693 | NSC-97927 | NCGC00014018-02 | NSC 82393 | ETHIONINE [HSDB] | NCIStruc1_000100 | (2S)-2-amino-4-(ethylsulfanyl)butan

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Methionine analogs that interfere with standard DNA methylation and other methylation pathways, leading to pancreatic toxicity and liver cancer. But in animal studies, it has also been shown to synchronize activity with methionine depletion to prevent met

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

≥99%

Names and Identifiers

Pubchem Sid

504753312

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753312

Canonical Smiles

CCSCCC(C(=O)O)N

IUPAC Name

(2S)-2-amino-4-ethylsulfanylbutanoic acid

InChIKey

GGLZPLKKBSSKCX-YFKPBYRVSA-N

INCHI

1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

Isomeric SMILES

CCSCC[C@@H](C(=O)O)N

WGK Germany

3

RTECS

ES6825300

Molecular Weight

163.24

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
              • Level8 L-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 - Alpha amino acids
• Direct Parent: L-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: L-alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Carbonyl group - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: S-ethylhomocysteine

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(Human)

CACNA2D1 Tclin Voltage-gated calcium channel alpha2/delta subunit 1 (266 Activities)

Discover Target: CACNA2D1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Aqueous Acid (Slightly), Water (Slightly)
• x_specific_rotation: 22 ° (C=1, 1mol/L HCl)
• x_melt_point_char: 280°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: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13073-35-3, the molecular formula is C6H13NO2S, and the molecular weight is 163.24 g/mol. InChIKey GGLZPLKKBSSKCX-YFKPBYRVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.