Carbonic Anhydrase IX/XII Inhibitor II(U-104)

Base Information

• Chemical Name: Carbonic Anhydrase IX/XII Inhibitor II(U-104)
• CAS No.: 178606-66-1
• Molecular Formula: C13H12FN3O3S
• Molecular Weight: 309.321
• Mol file: 178606-66-1.mol

Synonyms:Benzenesulfonamide (4-[[[(4-fluorophenyl)amino]carbonyl]amino];4-[[[(4-Fluorophenyl)amino]carbonyl]amino]-benzenesulfonamide;

Chemical Property of Carbonic Anhydrase IX/XII Inhibitor II(U-104)

Chemical Property:

• Melting Point: 242-243℃
• PKA: 9.94±0.12(Predicted)
• PSA: 109.67000
• Density: 1.523±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 4.04420
• Storage Temp.: 2-8°C
• Solubility.: DMSO: >15mg/mL

Purity/Quality:

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

U 104 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: U 104 targets hypoxia-induced carbonic anhydrase IX, which inhibits tumor growth and metastasis.

Technology Process of Carbonic Anhydrase IX/XII Inhibitor II(U-104)

There total 3 articles about Carbonic Anhydrase IX/XII Inhibitor II(U-104) 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: 55.5%

para-fluorophenyl isocyanate (1195-45-5) + sulfanilamide (63-74-1) → 4-{[(4'-fluorophenyl)carbamoyl]amino}benzenesulfonamide (178606-66-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 48h;

DOI:10.1039/c0cc02707c

Reference yield: 55.5%

→ 4-{[(4'-fluorophenyl)carbamoyl]amino}benzenesulfonamide (178606-66-1)

Guidance literature:

Reference yield:

N-(4-fluorophenyl)formamide (459-25-6) + sulfanilamide (63-74-1) → 4-{[(4'-fluorophenyl)carbamoyl]amino}benzenesulfonamide (178606-66-1)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.1021/acs.jmedchem.1c00840

upstream raw materials:

para-fluorophenyl isocyanate

sulfanilamide

N-(4-fluorophenyl)formamide

Refernces

• 1、 -. "NOVEL SULFONAMIDE COMPOUNDS FOR INHIBITION OF METASTATIC TUMOR GROWTH". Page/Page column 23-24. . Retrieved 2012/03/10.
• 2、 Pacchiano, Fabio,Carta, Fabrizio,Vullo, Daniela,Scozzafava, Andrea,Supuran, Claudiu T.. "Inhibition of β-carbonic anhydrases with ureido-substituted benzenesulfonamides". experimental part. p. 102 - 105. Retrieved 2011/02/25.