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PD-0298029

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Chemical compound

Pharmaceutical compound

PD-0298029
Identifiers

IUPAC name ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-propyl-3,5-dimethyl-(12H)-isoquino[1,2-b]pyrrolo[3,2-f][1,3]benzoxazine-1-carboxylate
CAS Number	2178941-12-1^Y
PubChemCID	60210050
ChemSpider	26233369^Y
UNII	2A5XS99U8Q
CompTox Dashboard(EPA)	DTXSID701029771
Chemical and physical data
Formula	C₂₇H₃₂N₂O₄
Molar mass	448.563 g·mol⁻¹
3D model (JSmol)	Interactive image Interactive image
SMILES CCCc1c(c2c(n1C)cc(c3c2CN4CCc5cc(ccc5C4O3)OC)C)C(=O)OCC CCCc1n(C)c5cc(C)c3OC4c2ccc(OC)cc2CCN4Cc3c5c1C(=O)OCC
InChI InChI=1S/C27H32N2O4/c1-6-8-21-24(27(30)32-7-2)23-20-15-29-12-11-17-14-18(31-5)9-10-19(17)26(29)33-25(20)16(3)13-22(23)28(21)4/h9-10,13-14,26H,6-8,11-12,15H2,1-5H3^Y Key:MTMZSGQXRVRKSY-UHFFFAOYSA-N^Y
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PD-0298029 is a drug which acts as a selectiveantagonist for themuscarinic acetylcholine receptor M₄. It was developed for the treatment ofParkinson's disease, but poor bioavailability and rapid metabolism in animal studies have meant its use is largely limited toin vitro research into the M₄ and other muscarinic receptors.^[1]^[2]^[3]

References

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^Böhme TM, Augelli-Szafran CE, Hallak H, Pugsley T, Serpa K, Schwarz RD (July 2002). "Synthesis and pharmacology of benzoxazines as highly selective antagonists at M(4) muscarinic receptors".Journal of Medicinal Chemistry.45 (14):3094–3102.doi:10.1021/jm011116o.PMID 12086495.
^Boehme TM, Angelli-Szafran CE, Corinne E, Hallak H, Schwarz RD (January 2002). "Analogs of M4 selective synthetic muscarinic receptor antagonists: Synthesis, binding and pharmacokinetic properties".Medicinal Chemistry Research.11 (8):423–433.
^Eglen RM (2005). "Muscarinic receptor subtype pharmacology and physiology".Progress in Medicinal Chemistry.43. Amsterdam London: Elsevier Science: 105–136 (128).doi:10.1016/S0079-6468(05)43004-0.ISBN 978-0-444-51572-8.PMID 15850824.