PF-4455242


CAS No. : 1322001-35-3

PF-4455242,1322001-35-3
Product Details
For research use only. Not Intended for Therapeutic Use!
Cat No:I008423
Synonyms:PF-4455242; PF 4455242; PF4455242.;(1,1'-Biphenyl)-4-methanamine, N-(2-methylpropyl)-2'-(1-pyrrolidinylsulfonyl)-, hydrochloride (1:1)
Molecular Formula:C21H29ClN2O2S
Molecular Weight:408.985
Target:κ-opioid receptor Antagonist
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Appearance:Solid powder
Purity: > 98%
Cat No:I008423
Cas No:1322001-35-3
Product-Name:PF-4455242
IUPAC Name:2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine;hydrochloride
InChI:InChI=1S/C21H28N2O2S.ClH/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;1H
InChIKey:WRNZYMZEVIVCFL-UHFFFAOYSA-N
SMILES:CC(C)CNCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3CCCC3.Cl
PF-4455242(cas 1322001-35-3) is a selective, short-acting antagonist of the κ-opioid receptor. It was pursued in a phase I clinical trial for the treatment of bipolar disorder, and was also investigated as a treatment for depression and substance abuse.
1:J Med Chem. 2011 Aug 25;54(16):5868-77. doi: 10.1021/jm2006035. Epub 2011 Jul 22. 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).Verhoest PR,Basak AS,Parikh V,Hayward M,Kauffman GW,Paradis V,McHardy SF,McLean S,Grimwood S,Schmidt AW,Vanase-Frawley M,Freeman J,Van Deusen J,Cox L,Wong D,Liras S, PMID: 21744827 DOI: 10.1021/jm2006035
Abstract: By use of parallel chemistry coupled with physicochemical property design, a series of selective κ opioid antagonists have been discovered. The parallel chemistry strategy utilized key monomer building blocks to rapidly expand the desired SAR space. The potency and selectivity of the in vitro κ antagonism were confirmed in the tail-flick analgesia model. This model was used to build an exposure-response relationship between the κ K(i) and the free brain drug levels. This strategy identified 2-methyl-N-((2/'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine, PF-4455242, which entered phase 1 clinical testing and has demonstrated target engagement in healthy volunteers.© 2011 American Chemical Society
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