Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)-

Base Information

• Chemical Name: Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)-
• CAS No.: 501684-93-1
• Molecular Formula: C14H9Cl2F3N2O2
• Molecular Weight: 365.139
• Hs Code.: 2924299090
• European Community (EC) Number: 803-753-0
• NSC Number: 213859
• UNII: 9822RX831L
• DSSTox Substance ID: DTXSID50309712
• Nikkaji Number: J2.869.441E
• Wikidata: Q27088051
• Pharos Ligand ID: CQX99FSWLALZ
• ChEMBL ID: CHEMBL407217
• Mol file: 501684-93-1.mol

Synonyms:1-(5-chloro-2-hydroxyphenyl)-3-(2-chloro-5-trifluoromethylphenyl)urea;NS 1738;NS-1738;NS1738

Chemical Property of Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)-

Chemical Property:

• Boiling Point: 344.1±42.0 °C(Predicted)
• PKA: 8.08±0.13(Predicted)
• PSA: 61.36000
• Density: 1.617±0.06 g/cm3(Predicted)
• LogP: 5.50780
• Storage Temp.: Store at RT
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 363.9993174
• Heavy Atom Count: 23
• Complexity: 425

Purity/Quality:

99% ^*data from raw suppliers

NS 1738 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)Cl)O)Cl
• Description: NS 1738 is a positive allosteric modulator of the α7-containing neuronal nicotinic acetylcholine receptors (nAChRs). When applied in the presence of ACh, NS 1738 increases the peak amplitude of the current flowing through α7-containing nAChRs (EC50 = 3.4 μM). NS 1738 displays no substantial activity for α4β2-, α3β3-, and α1-containing receptors. It is modestly brain-penetrant and counteracts (-)-scopolamine-induced deficit in acquisition of a water-maze learning task in rats. NS 1738 also improves performance in the rat social recognition test. NS 1738 is used to selectively evaluate the role of α7-containing nAChRs in signaling pathways.
• Uses: NS 1738 is a selective a7 nAchR allosteric modulator.

Technology Process of Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)-

There total 1 articles about Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)- 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: 91.0%

2-chloro-5-(trifluoromethyl)phenyl isocyanate (50528-86-4) + 2-hydroxy-5-chloro-aniline (95-85-2) → NS1738 (501684-93-1)

Guidance literature:

In toluene; for 1.5h;

Reference yield: 93.0%

NS1738 (501684-93-1) → N-(3,5-dichloro-6-hydroxy-phenyl)-N'-(2-chloro-5-trifluoromethyl-phenyl)urea

Guidance literature:

With N-chloro-succinimide; In acetonitrile; at -20 - 20 ℃; for 16.5h;

Reference yield: 58.0%

NS1738 (501684-93-1) → N-(3-bromo-5-chloro-2-hydroxy-phenyl)-N'-(2-chloro-5-trifluoromethyl-phenyl)urea

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 18h;

upstream raw materials:

2-chloro-5-(trifluoromethyl)phenyl isocyanate

2-hydroxy-5-chloro-aniline

Refernces