iOWH-032

Base Information

• Chemical Name: iOWH-032
• CAS No.: 1191252-49-9
• Molecular Formula: C22H15Br2N3O4
• Molecular Weight: 545.187
• Mol file: 1191252-49-9.mol

Synonyms:iOWH-032;3-(3,5-Dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide;3-(3,5-DibroMo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxaMide;1,2,4-Oxadiazole-5-carboxamide, 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-;3-(3,5-Dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide IOWH032

Chemical Property of iOWH-032

Chemical Property:

• PKA: 3.34±0.46(Predicted)
• PSA: 97.22000
• Density: 1.670±0.06 g/cm3(Predicted)
• LogP: 4.68800
• Storage Temp.: 2-8°C
• Solubility.: ≥21.85 mg/mL in DMSO; insoluble in H2O; ≥3.13 mg/mL in EtOH with gentle warming

Purity/Quality:

98% min ^*data from raw suppliers

IOWH032 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: IOWH032 is a synthetic CFTR inhibitor with IC50 of 1.01 μM in CHO-CFTR cell based assays. Phase 2.
• Uses: IOWH032 is a synthetic?cystic fibrosis transmembrane conductance regulator (CFTR) ?inhibitor.

Technology Process of iOWH-032

There total 1 articles about iOWH-032 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:

→ 3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide (1191252-49-9)

Guidance literature:

Reference yield: 40.0%

3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide (1191252-49-9) + di-tert-butyl chloromethyl phosphate (229625-50-7) → C31H34Br2N3O8P (1421275-99-1)

Guidance literature:

3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.75h;

di-tert-butyl chloromethyl phosphate; In N,N-dimethyl-formamide; at 50 ℃;

Reference yield: 20.0%

3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide (1191252-49-9) + di-tert-butyl diisopropylphosphoramide (137348-86-8) → C30H32Br2N3O7P (1421276-01-8)

Guidance literature:

3-(3,5-dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide; di-tert-butyl diisopropylphosphoramide; With 1H-tetrazole; In tetrahydrofuran; at 20 ℃; for 3h;

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; dichloromethane; at -40 ℃; for 0.25h;

Downstream raw materials:

C₃₀H₃₂Br₂N₃O₇P

C₃₁H₃₄Br₂N₃O₈P

Refernces

• 1、 -. "Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives". Page/Page column 246. . Retrieved 2009/12/28.