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{{short description|Chemical compound}}
{{cs1 config|name-list-style=vanc|display-authors=6}}
{{drugbox {{drugbox
| Watchedfields = changed
| verifiedrevid = 446393243 | verifiedrevid = 451211295
| IUPAC_name = ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-propyl-3,5-dimethyl-(12H)-isoquinopyrrolobenzoxazine-1-carboxylate | IUPAC_name = ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-propyl-3,5-dimethyl-(12H)-isoquinopyrrolobenzoxazine-1-carboxylate
| image = PD0298029_structure.png | image = PD0298029_structure.png

⚫ | CAS_number =
| ATC_prefix = | index_label =
| ATC_suffix = | index2_label =
| CAS_number_Ref = {{cascite|correct|CAS}}
⚫ | ATC_supplemental =
⚫ | CAS_number = 2178941-12-1
⚫ | PubChem =
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 2A5XS99U8Q
| ATC_prefix =
| ATC_suffix =
⚫ | ATC_supplemental =
⚫ | PubChem = 60210050
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 26233369 | ChemSpiderID = 26233369
⚫ | C=27 | H=32 | N=2 | O=4
| chemical_formula = C<sub>27</sub>H<sub>32</sub>N<sub>2</sub>O<sub>4</sub>
| molecular_weight = 448.554
| smiles = CCCc1c(c2c(n1C)cc(c3c2CN4CCc5cc(ccc5C4O3)OC)C)C(=O)OCC | smiles = CCCc1c(c2c(n1C)cc(c3c2CN4CCc5cc(ccc5C4O3)OC)C)C(=O)OCC
| InChI = 1/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
| InChIKey = MTMZSGQXRVRKSY-UHFFFAOYAV
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 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 | StdInChI = 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
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = MTMZSGQXRVRKSY-UHFFFAOYSA-N | StdInChIKey = MTMZSGQXRVRKSY-UHFFFAOYSA-N
⚫ | smiles2 = CCCc1n(C)c5cc(C)c3OC4c2ccc(OC)cc2CCN4Cc3c5c1C(=O)OCC
⚫ | C=27 | H=32 | N=2 | O=4
⚫ | bioavailability =
| molecular_weight = 448.553 g/mol
⚫ | protein_bound =
⚫ | smiles = CCCc1n(C)c5cc(C)c3OC4c2ccc(OC)cc2CCN4Cc3c5c1C(=O)OCC
⚫ | metabolism =
⚫ | bioavailability =
⚫ | elimination_half-life =
⚫ | protein_bound =
⚫ | pregnancy_category =
⚫ | metabolism =
⚫ | legal_status =
⚫ | elimination_half-life =
⚫ | routes_of_administration =
⚫ | pregnancy_category =
⚫ | legal_status =
⚫ | routes_of_administration =
}} }}


'''PD-0298029''' is a drug which acts as a selective ] for the ]. It was developed for the treatment of ], but poor bioavailability and rapid metabolism in animal studies have meant its use is largely limited to ''in vitro'' research into the M<sub>4</sub> and other muscarinic receptors.<ref name="pmid12086495">{{cite journal |author=Böhme TM, Augelli-Szafran CE, Hallak H, Pugsley T, Serpa K, Schwarz RD |title=Synthesis and pharmacology of benzoxazines as highly selective antagonists at M(4) muscarinic receptors |journal=Journal of Medicinal Chemistry |volume=45 |issue=14 |pages=3094–102 |year=2002 |month=July |pmid=12086495 |doi= |url=}}</ref><ref>Boehme TM, Angelli-Szafran CE, Corinne E, Hallak H and Schwarz RD. Analogs of M4 selective synthetic muscarinic receptor antagonists: Synthesis, binding and pharmacokinetic properties. ''Medicinal Chemistry Research''. 2002; 11(8):423–433.</ref><ref>Progress in Medicinal Chemistry 43. (2005). Chapter 4, Muscarinic Receptor Subtype Pharmacology and Physiology, by Richard M Eglen. pp 128-129. ISBN 0444515720</ref> '''PD-0298029''' is a drug which acts as a selective ] for the ]. It was developed for the treatment of ], but poor bioavailability and rapid metabolism in animal studies have meant its use is largely limited to ''in vitro'' research into the M<sub>4</sub> and other muscarinic receptors.<ref name="pmid12086495">{{cite journal | vauthors = Böhme TM, Augelli-Szafran CE, Hallak H, Pugsley T, Serpa K, Schwarz RD | title = Synthesis and pharmacology of benzoxazines as highly selective antagonists at M(4) muscarinic receptors | journal = Journal of Medicinal Chemistry | volume = 45 | issue = 14 | pages = 3094–3102 | date = July 2002 | pmid = 12086495 | doi = 10.1021/jm011116o }}</ref><ref>{{cite journal | vauthors = Boehme TM, Angelli-Szafran CE, Corinne E, Hallak H, Schwarz RD | title = Analogs of M4 selective synthetic muscarinic receptor antagonists: Synthesis, binding and pharmacokinetic properties. | journal = Medicinal Chemistry Research | date = January 2002 | volume = 11 | issue = 8 | pages = 423–433 }}</ref><ref name="Eglen_2005">{{cite journal | vauthors = Eglen RM | title = Muscarinic receptor subtype pharmacology and physiology | journal = Progress in Medicinal Chemistry |publisher=Elsevier Science |location=Amsterdam London | volume = 43 | issue = | pages = 105–136 (128) | date = 2005 | pmid = 15850824 | doi = 10.1016/S0079-6468(05)43004-0 |isbn=978-0-444-51572-8 }}</ref>


⚫ == See also ==

⚫ ==See also==
* ] * ]
* ]


== References == == References ==
{{Reflist}} {{Reflist}}


{{Muscarinic acetylcholine receptor modulators}}
{{Cholinergics}}



]
]
⚫ ]
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{{nervous-system-drug-stub}}

Latest revision as of 14:59, 17 January 2025

Chemical compound

Pharmaceutical compound
PD-0298029
Identifiers
IUPAC name
  • ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-propyl-3,5-dimethyl-(12H)-isoquinopyrrolobenzoxazine-1-carboxylate
CAS Number
PubChem CID
ChemSpider
UNII
CompTox Dashboard (EPA)
Chemical and physical data
FormulaC27H32N2O4
Molar mass448.563 g·mol
3D model (JSmol)
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.

See also

References

  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.
  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.
Muscarinic acetylcholine receptor modulators
mAChRsTooltip Muscarinic acetylcholine receptors
Agonists
Antagonists
Precursors
(and prodrugs)
See also
Receptor/signaling modulators
Nicotinic acetylcholine receptor modulators
Acetylcholine metabolism/transport modulators


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