S-(Phenylsulfonyl)glutathione

Base Information

• Chemical Name: S-(Phenylsulfonyl)glutathione
• CAS No.: 97512-84-0
• Molecular Formula: C16H21 N3 O8 S2
• Molecular Weight: 447.49
• DSSTox Substance ID: DTXSID00243011
• Nikkaji Number: J3.241.275K
• Wikidata: Q83126967
• Mol file: 97512-84-0.mol

Synonyms:S-(phenylsulfonyl)glutathione;S-phenylsulfonylglutathione

Chemical Property of S-(Phenylsulfonyl)glutathione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 233.62000
• Density: 1.495g/cm³
• LogP: 2.44790
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 447.07700698
• Heavy Atom Count: 29
• Complexity: 701

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)S(=O)(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

Technology Process of S-(Phenylsulfonyl)glutathione

There total 4 articles about S-(Phenylsulfonyl)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:

S-Nitrosoglutathione (57564-91-7) + sodium benzenesulfonate (873-55-2) → piloty's acid (599-71-3) + S-Phenylsulphonylglutathione (97512-84-0)

Guidance literature:

In aq. buffer; for 6h; pH=4; Kinetics; Darkness;

DOI:10.1016/j.tetlet.2013.08.011

Reference yield:

S-Nitrosoglutathione (57564-91-7) + sodium benzenesulfonate (873-55-2) → S-Phenylsulphonylglutathione (97512-84-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0040-4039(00)89276-X

Reference yield:

GLUTATHIONE (70-18-8) → S-Phenylsulphonylglutathione (97512-84-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; sodium nitrite / 0.25 h / Darkness; Inert atmosphere

2: ammonium formate; ethylenediaminetetraacetic acid / aq. buffer / 0.5 h / pH 4

With hydrogenchloride; ethylenediaminetetraacetic acid; ammonium formate; sodium nitrite; In aq. buffer;

DOI:10.1039/c4ob00995a

upstream raw materials:

S-Nitrosoglutathione

sodium benzenesulfonate

benzenesulfonyl chloride

GLUTATHIONE

Downstream raw materials:

N⁵-((R)-3-(((R)-2-amino-2-carboxyethyl)disulfanyl)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)-L-glutamine