S-(N-Hydroxy-N-methylcarbamoyl)glutathione

Base Information

• Chemical Name: S-(N-Hydroxy-N-methylcarbamoyl)glutathione
• CAS No.: 144810-23-1
• Molecular Formula: C₁₂H₂₀N₄O₈S
• Molecular Weight: 380.379
• DSSTox Substance ID: DTXSID00162814
• Nikkaji Number: J601.919F
• Wikidata: Q83031569
• Metabolomics Workbench ID: 68164
• ChEMBL ID: CHEMBL129435
• Mol file: 144810-23-1.mol

Synonyms:S-(N-hydroxy-N-methylcarbamoyl)glutathione;S-HMCG

Chemical Property of S-(N-Hydroxy-N-methylcarbamoyl)glutathione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 231.64000
• Density: 1.533g/cm³
• LogP: 0.41920
• XLogP3: -4.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 380.10018478
• Heavy Atom Count: 25
• Complexity: 529

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
• Isomeric SMILES: CN(C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

Technology Process of S-(N-Hydroxy-N-methylcarbamoyl)glutathione

There total 2 articles about S-(N-Hydroxy-N-methylcarbamoyl)glutathione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 35.0%

GLUTATHIONE (70-18-8) + N-hydroxy-N-methylcarbamate 4-chlorophenyl ester (13649-16-6) → S-(N-methyl-N-hydroxycarbamoyl)glutathione (144810-23-1)

Guidance literature:

With sodium hydroxide; In methanol; water; for 168h; Inert atmosphere;

DOI:10.2174/1570180814666161128115808

Reference yield:

GLUTATHIONE (70-18-8) + C4H9NO3S → S-(N-methyl-N-hydroxycarbamoyl)glutathione (144810-23-1) + hydroxyethylthioether

Guidance literature:

With potassium phosphate buffer; ethanol; at 25 ℃; Rate constant;

DOI:10.1021/jm980712o

upstream raw materials:

GLUTATHIONE

N-hydroxy-N-methylcarbamate 4-chlorophenyl ester

Refernces

• 1、 Hamilton, Diana S.,Kavarana, Malcolm J.,Sharkey, Ellyn M.,Eiseman, Julie L.,Creighton, Donald J.. "A new method for rapidly generating inhibitors of glyoxalase I inside tumor cells using S-(N-aryl-N-hydroxycarbamoyl)ethylsulfoxides". . p. 1823 - 1827. Retrieved 2007/10/03.