Pardoprunox
Basic information
- CAS
269718-84-5- Standard SMILES
CN1CCN(c2cccc3[nH]c(=O)oc23)CC1- InChIKey
YVPUUUDAZYFFQT-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Overview
Pardoprunox has been used in trials studying the treatment of Early Stage Parkinson's Disease and Advanced Stage Parkinson's Disease. Pardoprunox is a partial dopamine D2 agonist and noradrenergic agonist with serotonin 5-HT1A agonist properties.
Names & identifiers
- Preferred name
- Pardoprunox
- IUPAC
- 7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one
- English name
- Pardoprunox
- Molecular formula
- C12H15N3O2
- Molecular weight
- 233.27
Names & synonyms
Pardoprunox269718-84-5SLV308SLV-3085R72CHP32SDU126891DU-126891DTXSID40949747pardoprunoxumRefChem:928593DTXCID9013779287-(4-methylpiperazin-1-yl)-2,3-dihydro-1,3-benzoxazol-2-one
Show more names
pardoprunox (SLV308)Pardoprunox，DU 1268917-(4-Methyl-1-piperazinyl)-2(3H)-benzoxazolone
2(3H)-benzoxazolone, 7-(4-methyl-1-piperazinyl)-monohydrochlorideSME-308Pardoprunox free base7-(4-methylpiperazin-1-yl)-3H-1,3-benzoxazol-2-oneSLV 308SLV-308;DU-126891DU 1268912(3H)-Benzoxazolone, 7-(4-methyl-1-piperazinyl)-
Database identifiers
- CAS
269718-84-5- PubChem CID
- 6918525
- DTXSID
DTXSID40949747- ChEMBL
CHEMBL2103832- UNII
- 5R72CHP32S
- Nikkaji
- J2.214.749H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.15 · 9.15±0.70(Predicted)
- FDA UNII
- 5 R72CHP32S · 5R72CHP32S
Chemistry & industry
Pharmacology
Mechanism of Action
Pardoprunox binds to dopamine D(2), D(3), and D(4) receptors and 5-HT(1) (A) receptors and is a partial agonist at dopamine D(2) and D(3) receptors and a full agonist at serotonin 5-HT(1) (A) receptors. Pardoprunox combines high potency partial agonism at dopamine D(2) and D(3) receptors with full efficacy low potency serotonin 5-HT(1) (A) receptor agonism and is worthy of profiling in in vivo models of Parkinson's disease.
Applications
UsesPardoprunox (SLV-308) is a partial dopamine D2 and D3 receptor partial agonist and a serotonin 5-HT1A receptor agonist, with pEC50s of 8, 9.2, and 6.3, respectively[1].
Related reactions
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Compound notes
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