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P0043

Sigma-Aldrich

PNU-120596

≥98% (HPLC)

Synonym(s):

N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)-urea, NSC 216666

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About This Item

Empirical Formula (Hill Notation):
C13H14ClN3O4
CAS Number:
501925-31-1
Molecular Weight:
311.72
MDL number:
MFCD00095313
UNSPSC Code:
12352200
PubChem Substance ID:
329819995
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

solid

color

white to off-white

solubility

DMSO: >10 mg/mL

storage temp.

room temp

SMILES string

O=C(NC1=NOC(C)=C1)NC2=CC(Cl)=C(OC)C=C2OC

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)

InChI key

CEIIEALEIHQDBX-UHFFFAOYSA-N

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 Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000218345
0000218346
0000218346
0000218345
0000122074

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Marta Quadri et al.
Molecular pharmacology, 95(1), 43-61 (2018-10-24)
B-973 is an efficacious type II positive allosteric modulator (PAM) of α7 nicotinic acetylcholine receptors that, like 4BP-TQS and its active isomer GAT107, can produce direct allosteric activation in addition to potentiation of orthosteric agonist activity, which identifies it as
C Morel et al.
Molecular psychiatry, 23(7), 1597-1605 (2017-11-21)
Epidemiological studies report strong association between mood disorders and tobacco addiction. This high comorbidity requires adequate treatment but the underlying mechanisms are unknown. We demonstrate that nicotine exposure, independent of drug withdrawal effects, increases stress sensitivity, a major risk factor
Pramod K Dash et al.
The Journal of neuroscience : the official journal of the Society for Neuroscience, 36(9), 2809-2818 (2016-03-05)
Traumatic brain injury (TBI) is a major human health concern that has the greatest impact on young men and women. The breakdown of the blood-brain barrier (BBB) is an important pathological consequence of TBI that initiates secondary processes, including infiltration
Kateryna Uspenska et al.
The international journal of biochemistry & cell biology, 99, 226-235 (2018-04-29)
Mitochondrial nicotinic acetylcholine receptors (nAChRs) regulate the early stage of mitochondria-driven apoptosis, including cytochrome c release. Mitochondrial nAChR signaling is mainly mediated by intra-mitochondrial kinases, in an ion-independent manner. To determine the relationship between specific nAChR subtypes and mitochondrial kinases
Shakir D AlSharari et al.
Nicotine & tobacco research : official journal of the Society for Research on Nicotine and Tobacco, 19(4), 460-468 (2016-11-01)
α7 nicotinic acetylcholine receptors (nAChRs) play an important role in vagus nerve-based cholinergic anti-inflammatory effects. This study was designed to assess the role of α7 nAChRs in dextran sodium sulfate (DSS)-induced colitis in male and female mouse. We first compared
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