Didox

Base Information

• Chemical Name: Didox
• CAS No.: 69839-83-4
• Molecular Formula: C7H7 N O4
• Molecular Weight: 169.137
• Hs Code.: 2924299090
• NSC Number: 324360
• UNII: L106XFV0RQ
• DSSTox Substance ID: DTXSID90220134
• Nikkaji Number: J487.155C
• Wikidata: Q27282568
• NCI Thesaurus Code: C1338
• Metabolomics Workbench ID: 153834
• ChEMBL ID: CHEMBL367788
• Mol file: 69839-83-4.mol

Synonyms:3,4-dihydroxybenzohydroxamic acid;didox;N,3,4-trihydroxybenzamide;NSC 324360;NSC-324360;VF 147

Chemical Property of Didox

Chemical Property:

• Melting Point: 207 °C
• PKA: 8.16±0.20(Predicted)
• PSA: 89.79000
• Density: 1.571g/cm³
• LogP: 0.60770
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.03750770
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99%, ^*data from raw suppliers

Didox ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)NO)O)O
• Description: Polyhydroxylated aromatic compounds, both natural and synthetic, are important biological antioxidants. Didox is a simple, synthetic antioxidant that has been found to reduce the levels of oxidative injury markers in the brains of HIV patients with dementia. It also increases the radiosensitivity of cancer cells by inhibition of ribonucleotide reductase, resulting in a reduction of bcl-2 mediated resistance to apoptosis.
• Uses: Didox is a synthetic antioxidant that reduces oxidative injury levels.

Technology Process of Didox

There total 2 articles about Didox 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: 73.0%

N-(benzyloxy)-3,4-dihydroxybenzamide (932380-55-7) → didox (69839-83-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 23 ℃; for 1h;

DOI:10.1016/j.bmcl.2006.11.053

Reference yield:

→ didox (69839-83-4)

Guidance literature:

entspr. Methylester, H2NOH, NaOH;

DOI:10.1021/jm00191a027

Reference yield:

picoplatin (181630-15-9,865321-51-3) + didox (69839-83-4) → C19H26ClN5O4Pt2

Guidance literature:

picoplatin; With silver nitrate; In N,N-dimethyl-formamide; for 24h;

didox; With sodium hydroxide; for 48h;

upstream raw materials:

N-(benzyloxy)-3,4-dihydroxybenzamide