PD-0298029

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;
PubChem CID	60210050;
ChemSpider	26233369 ;
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 ; Key:MTMZSGQXRVRKSY-UHFFFAOYSA-N ;
	(verify)

PD-0298029 is a drug which acts as a selective antagonist for the muscarinic acetylcholine receptor M₄. It was developed for the treatment of Parkinson's disease, but poor bioavailability and rapid metabolism in animal studies have meant its use is largely limited to in vitro research into the M₄ and other muscarinic receptors.^[1]^[2]^[3]

References

^ 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.

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[pmid12086495-1] 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.

[2] 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_2005-3] 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.

[1]

[2]

[3]

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
PubChem CID	60210050
ChemSpider	26233369^Y
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
(verify)

PD-0298029

See also

References