Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H28N2O2S |
| Molecular Weight | 372.524 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)CNCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3CCCC3
InChI
InChIKey=OWVIKBRKPCTDEP-UHFFFAOYSA-N
InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21744827 | https://www.ncbi.nlm.nih.gov/pubmed/21821697Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800030611
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21744827 | https://www.ncbi.nlm.nih.gov/pubmed/21821697
Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800030611
Pfizer was developing PF-4455242, a selective, short-acting (non-"inactivating") antagonist of the κ-opioid receptor. PF-4455242 was pursued in phase I clinical trial for the treatment of the bipolar disorder and was also investigated as a treatment for depression and substance abuse. In September 2010 Pfizer discontinued the development of the compound.
CNS Activity
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21744827 | https://www.ncbi.nlm.nih.gov/pubmed/21821697
Curator's Comment: good brain penetration in rats
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Design and discovery of a selective small molecule κ opioid antagonist (2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine, PF-4455242). | 2011 Aug 25 |
|
| Pharmacological characterization of 2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine (PF-04455242), a high-affinity antagonist selective for κ-opioid receptors. | 2011 Nov |
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44599828
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DTXSID30152783
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Y3530Z78QD
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1202647-54-8
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admin on Sat Dec 16 01:42:52 GMT 2023 , Edited by admin on Sat Dec 16 01:42:52 GMT 2023
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)
