6,6'-Dithiodinicotinic acid

Base Information

• Chemical Name: 6,6'-Dithiodinicotinic acid
• CAS No.: 15658-35-2
• Molecular Formula: C12H8N2O4S2
• Molecular Weight: 308.339
• Hs Code.: 2933399090
• European Community (EC) Number: 239-729-6
• NSC Number: 147758
• DSSTox Substance ID: DTXSID40166098
• Nikkaji Number: J236.351H
• Wikidata: Q83035343
• ChEMBL ID: CHEMBL1161936
• Mol file: 15658-35-2.mol

Synonyms:6,6'-dithiodinicotinic acid;6,6'-dithiodinicotinic acid, sodium salt;carboxypyridine disulfide

Chemical Property of 6,6'-Dithiodinicotinic acid

Chemical Property:

• Appearance/Colour: Tan powder
• Melting Point: 263-265 °C
• Boiling Point: 584.2 °C at 760 mmHg
• Flash Point: 307.1 °C
• PSA: 150.98000
• Density: 1.66 g/cm³
• LogP: 2.67240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 307.99254909
• Heavy Atom Count: 20
• Complexity: 335

Purity/Quality:

98% ^*data from raw suppliers

6,6′-Dithiodinicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: C1=CC(=NC=C1C(=O)O)SSC2=NC=C(C=C2)C(=O)O
• Uses: 6,6′-Dithiodinicotinic acid may be employed as:specific thiol blocker to investigate the radioprotective effect of mercaptoethylamine on the thiol level of the outer cell membrane of the Ehrlich ascites tumor cellsmodifier to investigate the polar microenvironment around the reactive Cys283 of rabbit muscle creatine kinasedipyridyl-dithio substrate to evaluate the protein disulfide-thiol interchange activity of the auxin stimulated NADH: protein disulfide reductase (NADH oxidase) of soybean plasma membraneswater-soluble reagent in a study for introducing, in buffered saline, a reactive sulfhydryl group on water-soluble molecules bearing an alkyl-amino groupchromogen for sulfhydryl groups in the Ellman method for cholinesterase determinationsspectrophotometric determination of thiols and of total glutathione in human blood

Technology Process of 6,6'-Dithiodinicotinic acid

There total 1 articles about 6,6'-Dithiodinicotinic acid 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:

→ 6,6'-dithionicotinic acid (15658-35-2)

Guidance literature:

Reference yield: 46.7%

copper(II) nitrate trihydrate + tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine + water (7732-18-5) + 6,6'-dithionicotinic acid (15658-35-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → {[Cu2(μ-OH2)(tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine)(6,6'-dithiodinicotinate)2*DMF]*H2O}n

Guidance literature:

at 80 ℃; for 72h;

DOI:10.1080/24701556.2021.1952244

Reference yield: 46.7%

cobalt(II) nitrate hexahydrate + tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine + water (7732-18-5) + 6,6'-dithionicotinic acid (15658-35-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → {[Co2(μ-OH2)(tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine)(6,6’-dithiodinicotinate)2·DMF]·H2O}n

Guidance literature:

at 80 ℃; for 72h;

DOI:10.1039/c8dt01658e

Downstream raw materials:

6-Mercapto-nicotinic acid

Refernces