PNU-120,596

PNU-120,596
Identifiers
	IUPAC name 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea;
CAS Number	501925-31-1 ;
PubChem CID	311434;
IUPHAR/BPS	3991;
ChemSpider	275409 ;
UNII	9EZT3PTH2J;
ChEMBL	ChEMBL257591 ;
CompTox Dashboard (EPA)	DTXSID10964528 ;
Chemical and physical data
Formula	C13H14ClN3O4
Molar mass	311.72 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES COc1cc(OC)c(Cl)cc1NC(=O)Nc2noc(C)c2;
	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) ; Key:CEIIEALEIHQDBX-UHFFFAOYSA-N ;
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PNU-120596 is a drug that acts as a potent and selective positive allosteric modulator for the α7 subtype of neural nicotinic acetylcholine receptors.^[1]^[2] It is used in scientific research into cholinergic regulation of dopamine and glutamate release in the brain.^[3]^[4]^[5]

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Identifiers

IUPAC name 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea
CAS Number	501925-31-1^Y
PubChem CID	311434
IUPHAR/BPS	3991
ChemSpider	275409^N
UNII	9EZT3PTH2J
ChEMBL	ChEMBL257591^N
CompTox Dashboard (EPA)	DTXSID10964528
Chemical and physical data
Formula	C₁₃H₁₄ClN₃O₄
Molar mass	311.72 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES COc1cc(OC)c(Cl)cc1NC(=O)Nc2noc(C)c2
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)^N Key:CEIIEALEIHQDBX-UHFFFAOYSA-N^N
^NY (what is this?) (verify)