S-Hexylglutathione - ≥98% , CAS No.24425-56-7

CAS: 24425-56-7 Cat. No.: H121370 Molecular Weight: 391.48 Beilstein Registry Number: 5629635

GRADE & PURITY ≥98%

Synonyms

BDBM50095998 | 1ydk | C02886 | GTPL1941 | S-Hexyl-L-glutathione (H-L-gGlu-Cys(hexyl)-Gly-OH) | MFCD00056735 | NSC-131114 | (2S)-2-azanyl-5-[[(2R)-3-hexylsulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic ac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BDBM50095998 | 1ydk | C02886 | GTPL1941 | S-Hexyl-L-glutathione (H-L-gGlu-Cys(hexyl)-Gly-OH) | MFCD00056735 | NSC-131114 | (2S)-2-azanyl-5-[[(2R)-3-hexylsulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic ac

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

S-Hexylglutathione may be used as an affinity chromatography ligand of glutathione-S-transferase and glutathione peroxidase. S-Hexylglutathione is also used as an inhibitor to study the specificity and kinetics of enzymes such as mitochondrial membrane-bo

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

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

• Pubchem Sid: 504756373
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756373
• Canonical Smiles: CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-hexylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: HXJDWCWJDCOHDG-RYUDHWBXSA-N
• INCHI: 1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
• Isomeric SMILES: CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 391.48
• Beilstein: 5629635
• Reaxy-Rn: 24735187
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24735187&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 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives L-alpha-amino acids N-acyl amines Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Sulfenyl compounds Dialkylthioethers Carboxylic acids Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Fatty acid - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Thioether - Primary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Primary aliphatic amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: glutathione derivative

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)

GSTA1 Tchem Glutathione S-transferase A1 (0 Activities)

Discover Target: GSTA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 200-202 °C
• Molecular Weight: 391.500 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 391.178 Da
• Monoisotopic Mass: 391.178 Da
• Topological Polar Surface Area: 184.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 475.000
• 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

References

1. Shiyu Zhang, Ying Liu, Ting Liu, Jie Pan, Rong Tan, Zixia Hu, Bowen Gong, Yufen Liao, Peng Luo, Qibing Zeng, Weiwei Li, Jiang Zheng.  (2022)  DNA damage by reactive oxygen species resulting from metabolic activation of 8-epidiosbulbin E acetate in vitro and in vivo.  TOXICOLOGY AND APPLIED PHARMACOLOGY,      [PMID:35367474] [10.1016/j.taap.2022.116007]

2. Lan Yang, Lihua Xin, Junzu Shi, Wei Li, Min Tian, Zixia Hu, Ying Peng, Jiang Zheng.  (2021)  Metabolic Activation and Cytotoxicity of Labetalol Hydrochloride Mediated by Sulfotransferases.  CHEMICAL RESEARCH IN TOXICOLOGY,      [PMID:33872499] [10.1021/acs.chemrestox.1c00060]

3. Wei-Huan Xu, Meng-Yao Zhu, Zhi-Heng Xu, Xiao-Jie Li, Chao-Yang Peng, Xiao-Pei Fan, Yong-Qiang Li.  (2025)  Functional characterization of an epsilon glutathione S-transferase (SfGSTe9) associated with insecticide detoxification in Spodoptera frugiperda.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:40015897] [10.1016/j.pestbp.2025.106305]