Nicotinuric acid

Base Information

• Chemical Name: Nicotinuric acid
• CAS No.: 583-08-4
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• Hs Code.: 2933399090
• European Community (EC) Number: 209-497-0
• NSC Number: 71273
• UNII: 77V5315PIU
• DSSTox Substance ID: DTXSID50207022
• Nikkaji Number: J11.524J
• Wikidata: Q27107528
• Metabolomics Workbench ID: 38281
• ChEMBL ID: CHEMBL458725
• Mol file: 583-08-4.mol

Synonyms:nicotinuric acid;nicotinuric acid, monosodium salt

Chemical Property of Nicotinuric acid

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 2.51E-11mmHg at 25°C
• Melting Point: 256-258 °C (dec.)
• Refractive Index: 1.572
• Boiling Point: 512.5 °C at 760 mmHg
• PKA: 3.10±0.10(Predicted)
• Flash Point: 263.7 °C
• PSA: 79.29000
• Density: 1.343 g/cm³
• LogP: 0.28690
• Storage Temp.: Store at 0-5°C
• Solubility.: Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• Water Solubility.: Soluble in dimethyl sulfoxide, methanol, water, and 1M NH4OH (50 mg/mL).
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

98%,99%, ^*data from raw suppliers

Nicotinuric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)NCC(=O)O
• Uses: N-Nicotinoylglycine can be used to antiproliferative and as a Niacin analog for therapeutic use. A Niacin analog for therapeutic use. Antiproliferative.

Technology Process of Nicotinuric acid

There total 13 articles about Nicotinuric 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:

nicotinamide (98-92-0,1255150-40-3) + chloroacetic acid (79-11-8) → nicotinoylglycine (583-08-4)

Guidance literature:

In tetrahydrofuran; at 35 ℃; for 2h;

Reference yield:

nicotinyl-glycine-tert-butyl ester (1037820-84-0) → nicotinoylglycine (583-08-4)

Guidance literature:

With chlorotriisopropylsilane; trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield:

nicotinoyl azide (4013-72-3) + glycine (56-40-6,18875-39-3,25718-94-9) → nicotinoylglycine (583-08-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/ardp.19512840103

upstream raw materials:

nicotinoyl azide

glycine

N³-((ethoxycarbonyl)-methyl)nicotinamide

3-pyridinecarbonyl chloride

Refernces

• 1、 -. "SIRT1 ACTIVATING COMPOUNDS". . . Retrieved 2020/05/21.
• 2、 Sun, Yinxing,Zhang, Yusuo,Li, Yuyao,Cheng, Jian,Chen, Shiyu,Xiao, Yunqi,Ao, Guizhen. "Synthesis and biological evaluation of novel hydrogen sulfide releasing nicotinic acid derivatives". . p. 5368 - 5373. Retrieved 2016/10/24.