| Identification | Back Directory | [Name]
N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA | [CAS]
501925-31-1 | [Synonyms]
CS-224
Nsc 216666
PNU 120596
PNU 120596 NEW
PNU-120596 (NSC-216666)
PNU-120596;PNU120596; NSC 216666
PNU-120596 - CAS 501925-31-1 - Calbiochem
1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea
N-(5-Chloro-2,4-dimethoxphenyl)-N'-(5-methyl-3-isoxazolyl)-urea
N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA
1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Urea, N-(5-chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-
N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N'-(5-METHYL-3-ISOXAZOLYL)-UREA USP/EP/BP | [Molecular Formula]
C13H14ClN3O4 | [MDL Number]
MFCD00095313 | [MOL File]
501925-31-1.mol | [Molecular Weight]
311.721 |
| Chemical Properties | Back Directory | [Boiling point ]
385.0±42.0 °C(Predicted) | [density ]
1.403 | [storage temp. ]
Desiccate at +4°C | [solubility ]
DMSO: >10mg/mL | [form ]
White solid | [pka]
11.72±0.70(Predicted) | [color ]
white to off-white | [InChI]
InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18) | [InChIKey]
CEIIEALEIHQDBX-UHFFFAOYSA-N | [SMILES]
N(C1=CC(Cl)=C(OC)C=C1OC)C(NC1C=C(C)ON=1)=O |
| Hazard Information | Back Directory | [Uses]
Type II positive allosteric modulator (PAM) of α7 neuronal nicotinic acetylcholine receptor (nAChR) (EC50=216nM). Shows no detectable effect on α4β2, α3β4 and α9α10 receptors. | [Definition]
ChEBI: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-3-isoxazolyl)urea is a member of ureas. | [Biological Activity]
Positive allosteric modulator of α 7 neuronal nicotinic acetylcholine receptors (EC 50 = 216 nM), with no detectable effect on α 4 β 2, α 3 β 4 and α 9 α 10 receptors. Active in vivo following systemic administration. | [Biochem/physiol Actions]
An allosteric modulator of α7 nicotinic receptors, N-(5-chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)-urea (PNU-120596), causes conformational changes in the extracellular ligand binding domain similar to those caused by acetylcholinePNU-120596 is a positive allosteric modulator selective for the α7 nicotinic acetylcholine receptor. PNU-120596 produces no detectable change in currents mediated by α4β2, α3β4, α9α10 nAChRs. It increases channel mean open time, but does not affect ion selectivity. It does not bind at the agonist binding site, but induces conformational changes similar to the natural effector. | [storage]
Desiccate at +4°C | [References]
[1] hurst r s, hajós m, raggenbass m, et al. a novel positive allosteric modulator of the α7 neuronal nicotinic acetylcholine receptor: in vitro and in vivo characterization. the journal of neuroscience, 2005, 25(17): 4396-4405.
[2] bertrand d, gopalakrishnan m. allosteric modulation of nicotinic acetylcholine receptors. biochemical pharmacology, 2007, 74(8): 1155-1163. |
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