NS-1738
Basic information
- CAS
501684-93-1- Standard SMILES
O=C(Nc1cc(Cl)ccc1O)Nc1cc(C(F)(F)F)ccc1Cl- InChIKey
OUDXRNQPVSMGDW-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2F3N2O2
- Average molar mass
- 365.1 g/mol
- Monoisotopic mass
- 363.9993174
Names & identifiers
- Preferred name
- NS-1738
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
- English name
- NS 1738
- Molecular formula
- C14H9Cl2F3N2O2
- Molecular weight
- 365.13
Names & synonyms
501684-93-1NS-1738NS17381-(5-chloro-2-hydroxyphenyl)-3-(2-chloro-5-(trifluoromethyl)phenyl)ureaNSC-213859Urea, N-(5-chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)-1-(5-chloro-2-hydroxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]urea3-(5-chloro-2-hydroxyphenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]urea9822RX831LN-(5-CHLORO-2-HYDROXYPHENYL)-N'-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]UREADTXSID503097123-(5-chloro-2-hydroxyphenyl)-1-(2-chloro-5-(trifluoromethyl)phenyl)urea
Show more names
NSC 213859NS 1738 (NSC 213859)NS 1738, 10 mM in DMSO1-(5-Chloro-2-hydroxy-phenyl)-3-(2-chloro-5-trifluoromethyl-phenyl)-ureaUrea, N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]-NS 1738,Nicotinic acetylcholine receptors,NSC213859,inhibit,Inhibitor,nAChR,NS-1738,NSC-213859,NS1738
N-(5-Chloro-2-hydroxyphenyl)-N'-(2-chloro-5-(trifluoromethyl)phenyl)ureaRefChem:854787DTXCID90260838803-753-0NS 1738CHEMBL407217GTPL4000BDBM50374401
Database identifiers
- CAS
501684-93-1- PubChem CID
- 310378
- DTXSID
DTXSID50309712- ChEMBL
CHEMBL407217- UNII
- 9822RX831L
- EC Number
- 803-753-0
- Nikkaji
- J2.869.441E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 344.1 · 344.1±42.0 °C(Predicted)
- Density
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- White crystalline solid.
- pka
- 8.08 · 8.08±0.13(Predicted)
- color
- Off-White to Light Grey
- InChI
- 1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)
- InChIKey
- OUDXRNQPVSMGDW-UHFFFAOYSA-N
- FDA UNII
- 9822 RX831L · 9822RX831L
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- WGK Germany
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
DescriptionNS 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.
UsesNS 1738 is a selective a7 nAchR allosteric modulator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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