Acitazanolast

Base Information

• Chemical Name: Acitazanolast
• CAS No.: 114607-46-4
• Molecular Formula: C9H7N5O3
• Molecular Weight: 233.19
• UNII: 99Y8VJ356G
• DSSTox Substance ID: DTXSID3048732
• Nikkaji Number: J248.098K
• Wikidata: Q27272251
• NCI Thesaurus Code: C74133
• ChEMBL ID: CHEMBL2104654
• Mol file: 114607-46-4.mol

Synonyms:3-(1H-tetrazol-5-yl)oxanilic acid;acitazanolast;WP 871;WP-871;WP871;Zepelin (acitazanolast)

Chemical Property of Acitazanolast

Chemical Property:

• Melting Point: 241-243 °C (decomp)
• Refractive Index: 1.718
• PKA: 2.05±0.20(Predicted)
• PSA: 120.86000
• Density: 1.66 g/cm³
• LogP: -0.03720
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 233.05488910
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

Acitazanolast ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)C(=O)O)C2=NNN=N2
• Uses: 2-((3-(1H-Tetrazol-5-yl)phenyl)-amino)-2-oxoacetic acid is used in biological study to identify mechanisms-of-action targets for drugs and drug candidates as biological probes.
• Therapeutic Function: Anti-asthmatic, Antiallergic, Bronchodilator

Technology Process of Acitazanolast

There total 2 articles about Acitazanolast 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: 87.4%

→ acitazanolast (114607-46-4)

Guidance literature:

Reference yield: 74.8%

oxalyl dichloride (79-37-8) + 5-(3-aminophenyl)-1H-tetrazole (73732-51-1) → acitazanolast (114607-46-4)

Guidance literature:

In 1,2-dimethoxyethane; water; ethyl acetate;

upstream raw materials:

oxalyl dichloride

5-(3-aminophenyl)-1H-tetrazole

Refernces

• 1、 -. "3-(1H-tetrazol-5-yl)oxanilic acid and salts thereof, method for preparing the same and pharmaceutical compositions containing the compound". . . Retrieved 2008/06/13.