Cpfpx
PubChem CID
5461879
Structure
Molecular Formula
Synonyms
- CPFPX
- [18F]CPFPX
- 227205-79-0
- CHEMBL2311146
- 8-cyclopentyl-3-(3-fluoranylpropyl)-1-propyl-7H-purine-2,6-dione
Molecular Weight
321.38 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-02-27
- Modify:2025-01-18
Chemical Structure Depiction
8-cyclopentyl-3-(3-(18F)fluoranylpropyl)-1-propyl-7H-purine-2,6-dione
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)/i17-1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
GGGMDKJPUXTDAW-SJPDSGJFSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC[18F]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H23FN4O2
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- (18F)CPFPX
- 8-cyclopenta-3-(3-fluoropropyl)-1-propylxanthine
- CPFPX cpd
- CPFPX
- [18F]CPFPX
- 227205-79-0
- CHEMBL2311146
- 8-cyclopentyl-3-(3-fluoranylpropyl)-1-propyl-7H-purine-2,6-dione
- (18F)CPFPX
- 8-cyclopentyl-3-(3-(18F)fluoranylpropyl)-1-propyl-7H-purine-2,6-dione
- GTPL5603
- AKOS040751310
- Q27076906
- 8-Cyclopentyl-3-(3-[18F]fluoropropyl)-1-propylxanthine
- 8-cyclopentyl-3-(3-(fluoro-18F)propyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
321.38 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
3.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
321.183038 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
321.183038 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
69.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
455
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Purinergic P1 Receptor Antagonists
Compounds that bind to and block the stimulation of PURINERGIC P1 RECEPTORS. (See all compounds classified as Purinergic P1 Receptor Antagonists.)
PMID
Abbreviated name
[18F]CPFPX
Agent Category
Compound
Target
Adenosine A1 receptor
Target Category
Receptor binding
Method of detection
PET
Source of signal
18F
Activation
No
Studies
In vitro; Rodents; Humans;
Use Classification
Imaging agents
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- IUPHAR/BPS Guide to PHARMACOLOGYLICENSEThe Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)https://www.guidetopharmacology.org/about.jsp#licenseGuide to Pharmacology Target Classificationhttps://www.guidetopharmacology.org/targets.jsp
- Therapeutic Target Database (TTD)
- Molecular Imaging and Contrast Agent Database (MICAD)8-Cyclopentyl-3-(3-[18F]fluoropropyl)-1-propylxanthinehttp://www.ncbi.nlm.nih.gov/books/NBK23601
- PharosLICENSEData accessed from Pharos and TCRD is publicly available from the primary sources listed above. Please respect their individual licenses regarding proper use and redistribution.https://pharos.nih.gov/about
- Wikidata
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html8-cyclopenta-3-(3-fluoropropyl)-1-propylxanthinehttps://www.ncbi.nlm.nih.gov/mesh/67468796Purinergic P1 Receptor Antagonistshttps://www.ncbi.nlm.nih.gov/mesh/68058915
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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