N-Acetyl-S-(N-methylsulfinylbutylthiocarbamoyl)-L-cysteine - ≥98% , CAS No.334829-66-2

CAS: 334829-66-2 Cat. No.: A275678 Molecular Weight: 340.48

GRADE & PURITY ≥98%

Synonyms

DL-Sulforaphane N-acetyl-L-cysteine | Sulforaphane-N-acetyl-cysteine | D,L-Sulforaphane N-Acetyl-L-cysteine | BDBM50508433 | AKOS040755375

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

DL-Sulforaphane N-acetyl-L-cysteine | Sulforaphane-N-acetyl-cysteine | D, L-Sulforaphane N-Acetyl-L-cysteine | BDBM50508433 | AKOS040755375

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

N-Acetyl cysteine Sulforaphane conjugate. Sulforaphanes induce apoptosis and G 2 /M cell cycle arrest via caspase activation and PARP inactivation. Anticancer agent. See similar products

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.

Action Type

INHIBITOR

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

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NC(CSC(=S)NCCCCS(=O)C)C(=O)O
• IUPAC Name: (2R)-2-acetamido-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoic acid
• InChIKey: IIHBKTCHILXGOT-KMYGYIBBSA-N
• INCHI: 1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)/t9-,20?/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H](CSC(=S)NCCCCS(=O)C)C(=O)O
• Molecular Weight: 340.48
• Reaxy-Rn: 27802609
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27802609&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 Fatty acids and conjugates Dithiocarbamic acid esters Acetamides Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Sulfenyl compounds Monocarboxylic acids and derivatives 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 - Fatty acid - Dithiocarbamic acid ester - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfinyl compound - Sulfenyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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(Human)

LoVo (4724 Activities)

Explore this target

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

Mechanisms of Action