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1007573-18-3 | [1,1'-Biphenyl]-4-methanamine, N-(2,3-dihydro-1H-inden-2-yl)-3,5-difluoro-3'-(1H-1,2,4-triazol-5-yl)-
CAS No: 1007573-18-3 Catalog No: AG0002TH MDL No:
Product Description
Catalog Number:
AG0002TH
Chemical Name:
[1,1'-Biphenyl]-4-methanamine, N-(2,3-dihydro-1H-inden-2-yl)-3,5-difluoro-3'-(1H-1,2,4-triazol-5-yl)-
CAS Number:
1007573-18-3
Molecular Formula:
C24H20F2N4
Molecular Weight:
402.4392
IUPAC Name:
N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
InChI:
InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)
InChI Key:
WIEDUMBCZQRGSY-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1
UNII:
W0UTB622GK
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.166g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.449g/mol
Monoisotopic Mass:
402.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Opioid Antagonists and the A118G Polymorphism in the μ-Opioid Receptor Gene: Effects of GSK1521498 and Naltrexone in Healthy Drinkers Stratified by OPRM1 Genotype. | Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20161001 |
| The Novel μ-Opioid Receptor Antagonist GSK1521498 Decreases Both Alcohol Seeking and Drinking: Evidence from a New Preclinical Model of Alcohol Seeking. | Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20151201 |
| The opioid receptor pharmacology of GSK1521498 compared to other ligands with differential effects on compulsive reward-related behaviours. | Psychopharmacology 20150101 |
| The novel mu-opioid antagonist, GSK1521498, reduces ethanol consumption in C57BL/6J mice. | Psychopharmacology 20150101 |
| Effects of the mu-opioid receptor antagonist GSK1521498 on hedonic and consummatory eating behaviour: a proof of mechanism study in binge-eating obese subjects. | Molecular psychiatry 20131201 |
| Multiple-dose safety, pharmacokinetics, and pharmacodynamics of the μ-opioid receptor inverse agonist GSK1521498. | Journal of clinical pharmacology 20121001 |
| Opioid receptor modulation of hedonic taste preference and food intake: a single-dose safety, pharmacokinetic, and pharmacodynamic investigation with GSK1521498, a novel μ-opioid receptor inverse agonist. | Journal of clinical pharmacology 20120401 |
| Regulation of ingestive behaviors in the rat by GSK1521498, a novel micro-opioid receptor-selective inverse agonist. | The Journal of pharmacology and experimental therapeutics 20111001 |
| Pharmacological differentiation of opioid receptor antagonists by molecular and functional imaging of target occupancy and food reward-related brain activation in humans. | Molecular psychiatry 20110801 |
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