Basic information
- CAS
75444-65-4- Standard SMILES
Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1- InChIKey
HXCNRYXBZNHDNE-UHFFFAOYSA-N- Molecular formula
- C23H24FN3O2
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.18525523
Overview
3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-methyl-4-pyrido[1,2-a]pyrimidinone is an aromatic ketone.
Names & identifiers
- Preferred name
- Pirenperone
- IUPAC
- 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
- English name
- PIRENPERONE
- Molecular formula
- C23H24FN3O2
- Molecular weight
- 393.45
Names & synonyms
Pirenperone75444-65-4PirenperonaPirenperonumDTXSID9045182R-47,465R-47465NSC-760095Y9FMC4513X4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2-methyl-DTXCID70251823-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one
Show more names
PIRENPERONE (R-47,465) >97% SEROTONIN 5- HT2 ANTAG3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one3-[2-[4-(4-Fluorobenzoyl)piperidino]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-R-47,465, 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido-[1,2-a] pyrimidin-4-oneR 47465,anxiolytic activity,Pirenperone,5-HT Receptor,Inhibitor,R47465,inhibit,5-hydroxytryptamine Receptor,Serotonin Receptor,R-47465
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 782
Experimental & physicochemical properties
Collision Cross Section
195.72 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
196.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 556.3 · 556.3±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0.1 M · 0.1 M HCl: 11 mg/mL
- form
- solid
- pka
- 7.91 · 7.91±0.10(Predicted)
- color
- light yellow
- Water Solubility
- Water: Insoluble
- FDA UNII
- 9 FMC4513X · Y9FMC4513X
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.
Applications
Uses5-HT2 antagonist
Usesantianginal, antihypertensive
UsesPirenperone is a 5-HT2 serotonin receptor antagonist. Pirenperone also increases phosphorylation in human glioma cells by inhibiting cellular gap junctions.
Suppliers30 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
4 records
Compound notes
Loading…