N,N′-Diacetyl-L-cystine - ≥97% , CAS No.5545-17-5

CAS: 5545-17-5 Cat. No.: N352130 Molecular Weight: 324.37 EC Number: 226-911-5

GRADE & PURITY ≥97%

Synonyms

(Ac-Cys-OH)2 (Disulfide bond) | D-7193 | N,N'-Diacetylcystine | N,N-Diacetylcystine | NSC-203780 | EN300-304165 | UNII-5H6NA7JU5E | YTPQSLLEROSACP-YUMQZZPRSA-N | EINECS 226-911-5 | Acetylcysteine Impurity C | CCG-257560 | N,N'-Diacetyl-L-cystine; Acetylcy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

N,N'-Diacetyl-L-cystine is a treatment for dermal inflammations, which are caused by leukotriene production. The compound contains N-acetyl cysteine.

Specifications

Synonyms

(Ac-Cys-OH)2 (Disulfide bond) | D-7193 | N, N'-Diacetylcystine | N, N-Diacetylcystine | NSC-203780 | EN300-304165 | UNII-5H6NA7JU5E | YTPQSLLEROSACP-YUMQZZPRSA-N | EINECS 226-911-5 | Acetylcysteine Impurity C | CCG-257560 | N, N'-Diacetyl-L-cystine; Acetylcy

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)NC(CSSCC(C(=O)O)NC(=O)C)C(=O)O
• IUPAC Name: (2R)-2-acetamido-3-[[(2R)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
• InChIKey: YTPQSLLEROSACP-YUMQZZPRSA-N
• INCHI: 1S/C10H16N2O6S2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)C)C(=O)O
• Molecular Weight: 324.37
• Reaxy-Rn: 1729884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1729884&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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Cysteine and derivatives Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Dialkyldisulfides Sulfenyl compounds Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Cysteine or derivatives - Dicarboxylic acid or derivatives - Acetamide - Dialkyldisulfide - Secondary carboxylic acid amide - Organic disulfide - Carboxamide group - Sulfenyl compound - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 50 mg/ml in Acetic Acid 80% (Clear and Colorless Solution)
• Melt Point(°C): >79° C (dec.)
• Molecular Weight: 324.400 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 324.045 Da
• Monoisotopic Mass: 324.045 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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