N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)urea
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N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)urea
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CAS No:
501925-31-1
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Formula:
C13H14ClN3O4
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Chemical Name:
N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)urea
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Synonyms:
Urea,N-(5-chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)-;N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)urea;NSC 216666;PNU 120596;1-(5-Chloro-2,4-dimethoxy-phenyl)-3-(5-methyl-isoxazol-3-yl)-urea;1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
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CAS No:
Description
PNU-120596 (NSC 216666 ) is a potent and selective positive allosteric α7 nAChR modulator with an EC50 of 0.2 μM.IC50 value: 0.2 uM (EC50) [1] Target: α7in vitro: PNU-120596 increases agonist (Ach)-evoked calcium flux mediated by an engineered variant of the human α7 nAChR. PNU-120596 increases agonists (choline and ACh)-evoked currents mediated by wild-type receptors and also demonstrates a pronounced prolongation of the evoked response in the continued presence of agonist in Xenopus oo
1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-3-isoxazolyl)urea is a member of ureas.
N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)urea Basic Attributes
311.72096
311.72
9EZT3PTH2J
216666
2934999090
Characteristics
85.6
2.2
white to off-white
1.4±0.1 g/cm3
385°C at 760 mmHg
186.6±27.9 °C
1.625
DMSO: >10mg/mL
Desiccate at +4°C
Computed Properties
Molecular Weight:311.72
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:311.0672836
Monoisotopic Mass:311.0672836
Topological Polar Surface Area:85.6
Heavy Atom Count:21
Complexity:360
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-(5-Chloro-2,4-dimethoxyphenyl)-N′-(5-methyl-3-isoxazolyl)urea
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