L-Cysteine S-sulfate sodium - Moligand™,≥95% , CAS No.7381-67-1

CAS: 7381-67-1 Cat. No.: S275350 Molecular Weight: 223.20

GRADE & PURITY Moligand™, ≥95%

Synonyms

L-Cysteine,hydrogensulfate(ester),monosodium salt(9ci) | H-CYS(SO3H)-OHSODIUMSALT | sodium;(2R)-2-amino-3-sulfosulfanylpropanoate | S-Sulfo-L-cysteine sodium salt | H-Cys(SO)-OH sodium salt | FD21326 | NSC 344479 | S-sulfocysteine sodium salt | Sodium S-s

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

L-Cysteine, hydrogensulfate(ester), monosodium salt(9ci) | H-CYS(SO3H)-OHSODIUMSALT | sodium;(2R)-2-amino-3-sulfosulfanylpropanoate | S-Sulfo-L-cysteine sodium salt | H-Cys(SO)-OH sodium salt | FD21326 | NSC 344479 | S-sulfocysteine sodium salt | Sodium S-s

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Glutamate receptor agonist. Glutamate analog. Precursor to L-cysteine. Assumed to cause NMDA receptor-mediated neurodegeneration in molybdenum cofactor deficiency (MoCD) patients. May be involved in cysteine-induced neurotoxicity.

Storage

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.

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(C(=O)[O-])N)SS(=O)(=O)O.[Na+]
• IUPAC Name: sodium;(2R)-2-amino-3-sulfosulfanylpropanoate
• InChIKey: DQFVBELGDROGDO-DKWTVANSSA-M
• INCHI: 1S/C3H7NO5S2.Na/c4-2(3(5)6)1-10-11(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);/q;+1/p-1/t2-;/m0./s1
• Isomeric SMILES: C([C@@H](C(=O)[O-])N)SS(=O)(=O)O.[Na+]
• Molecular Weight: 223.20

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 Cysteine and derivatives
              • Level8 L-cysteine-S-conjugates
                • Level9 S-sulfo-L-cysteines

• 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 - Cysteine and derivatives - L-cysteine-S-conjugates
• Direct Parent: S-sulfo-L-cysteines
• Alternative Parents: L-alpha-amino acids S-alkyl thiosulfates Carboxylic acid salts Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: S-sulfo-l-cysteine - Alpha-amino acid - L-alpha-amino acid - S-alkyl thiosulfate - Carboxylic acid salt - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic alkali metal salt - Organic oxide - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as s-sulfo-l-cysteines. These are s-conjugated L-cysteine where the S-substituent is specified as a sulfo group.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM
• Molecular Weight: 223.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 222.959 Da
• Monoisotopic Mass: 222.959 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 234.000
• 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

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