L-gamma-glutamyl-N-[S-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-cysteinyl]glycine

Base Information

• Chemical Name: L-gamma-glutamyl-N-[S-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-cysteinyl]glycine
• CAS No.: 35841-75-9
• Molecular Formula: C16H18N6O9S
• Molecular Weight: 470.42
• DSSTox Substance ID: DTXSID20189381
• Wikidata: Q83061452
• Mol file: 35841-75-9.mol

Synonyms:gamma-glutamyl-(S-4-nitrobenz-2-oxa-1,3-diazole)cysteinylglycine;L-gamma-glutamyl-(S-4-nitrobenz-2-oxa-1,3-diazole)-L-cysteinylglycine

Chemical Property of L-gamma-glutamyl-N-[S-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-cysteinyl]glycine

Chemical Property:

• Vapor Pressure: 8.03E-27mmHg at 25°C
• Boiling Point: 797.4°Cat760mmHg
• Flash Point: 436.1°C
• Density: 1.69g/cm³
• XLogP3: -6.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 470.08559735
• Heavy Atom Count: 32
• Complexity: 750

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C2=NON=C2C(=C1)SCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N)[N+](=O)[O-]
• Isomeric SMILES: C1=C(C2=NON=C2C(=C1)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)[N+](=O)[O-]

Technology Process of L-gamma-glutamyl-N-[S-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-cysteinyl]glycine

There total 11 articles about L-gamma-glutamyl-N-[S-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-cysteinyl]glycine 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: 70.0%

GLUTATHIONE (70-18-8) + NBD chloride (10199-89-0) → 4-chloro-7-nitro-2,1,3-benzoxadiazole (35841-75-9)

Guidance literature:

With pyridine; In ethanol; water; at 20 ℃; for 1h;

DOI:10.3109/14756366.2015.1070845

Reference yield:

GLUTATHIONE (70-18-8) + C16H9N3O6 → 7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + 4-chloro-7-nitro-2,1,3-benzoxadiazole (35841-75-9)

Guidance literature:

In aq. phosphate buffer; acetonitrile; pH=7.4;

DOI:10.1021/acs.analchem.5b04333

Reference yield:

GLUTATHIONE (70-18-8) + C22H12N4O7 → 4-chloro-7-nitro-2,1,3-benzoxadiazole (35841-75-9)

Guidance literature:

In aq. phosphate buffer; N,N-dimethyl-formamide; at 20 ℃; pH=7.4;

DOI:10.1016/j.dyepig.2020.108722

upstream raw materials:

GLUTATHIONE

NBD chloride