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286456-42-6 | 1,2,4-Triazolo[4,3-b]pyridazine, 3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-6-[(1-methyl-1H-1,2,4-triazol-5-yl)methoxy]-
CAS No: 286456-42-6 Catalog No: AG002VZ5 MDL No:MFCD08690609
Product Description
Catalog Number:
AG002VZ5
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-6-[(1-methyl-1H-1,2,4-triazol-5-yl)methoxy]-
CAS Number:
286456-42-6
Molecular Formula:
C19H19F2N7O
Molecular Weight:
399.3973
MDL Number:
MFCD08690609
IUPAC Name:
7-tert-butyl-3-(2,5-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
InChI Key:
BQDUNOMMYOKHEP-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C)(C)C)F
UNII:
8CZO0970G3
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.162g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.406g/mol
Monoisotopic Mass:
399.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
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|---|---|
| GABAB-mediated rescue of altered excitatory-inhibitory balance, gamma synchrony and behavioral deficits following constitutive NMDAR-hypofunction. | Translational psychiatry 20120701 |
| GABAA receptor subtype-selective modulators. II. α5-selective inverse agonists for cognition enhancement. | Current topics in medicinal chemistry 20110101 |
| GABAA receptor subtype-selective modulators. I. α2/α3-selective agonists as non-sedating anxiolytics. | Current topics in medicinal chemistry 20110101 |
| Enhanced fear expression in a psychopathological mouse model of trait anxiety: pharmacological interventions. | PloS one 20110101 |
| Discriminative stimulus effects of L-838,417 (7-tert-butyl-3-(2,5-difluoro-phenyl)-6-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine): role of GABA(A) receptor subtypes. | Neuropharmacology 20100201 |
| Alpha1- and alpha2-containing GABAA receptor modulation is not necessary for benzodiazepine-induced hyperphagia. | Appetite 20090601 |
| In vivo saturation binding of GABA-A receptor ligands to estimate receptor occupancy using liquid chromatography/tandem mass spectrometry. | Biopharmaceutics & drug disposition 20090101 |
| A high-throughput functional assay for characterization of gamma-aminobutyric acid(A) channel modulators using cryopreserved transiently transfected cells. | Assay and drug development technologies 20081201 |
| GABA regulates the rat hypothalamic-pituitary-adrenocortical axis via different GABA-A receptor alpha-subtypes. | Annals of the New York Academy of Sciences 20081201 |
| Strain- and model-dependent effects of chlordiazepoxide, L-838,417 and zolpidem on anxiety-like behaviours in laboratory mice. | Pharmacology, biochemistry, and behavior 20080701 |
| Reversal of pathological pain through specific spinal GABAA receptor subtypes. | Nature 20080117 |
| Comparative effects of nonselective and subtype-selective gamma-aminobutyric acidA receptor positive modulators in the rat-conditioned emotional response test. | Behavioural pharmacology 20070501 |
| Pharmacological and computational analysis of alpha-subunit preferential GABA(A) positive allosteric modulators on the rat septo-hippocampal activity. | Neuropharmacology 20070301 |
| Effects of genetic background and null mutation of 5-HT1A receptors on basal and stress-induced body temperature: modulation by serotonergic and GABAA-ergic drugs. | European journal of pharmacology 20061121 |
| Comparative cue generalization profiles of L-838, 417, SL651498, zolpidem, CL218,872, ocinaplon, bretazenil, zopiclone, and various benzodiazepines in chlordiazepoxide and zolpidem drug discrimination. | The Journal of pharmacology and experimental therapeutics 20060301 |
| Do subtype-selective gamma-aminobutyric acid A receptor modulators have a reduced propensity to induce physical dependence in mice? | The Journal of pharmacology and experimental therapeutics 20060301 |
| Differential behavioral effects of low efficacy positive GABAA modulators in combination with benzodiazepines and a neuroactive steroid in rhesus monkeys. | British journal of pharmacology 20060201 |
| A comparison of chlordiazepoxide, bretazenil, L838,417 and zolpidem in a validated mouse Vogel conflict test. | Psychopharmacology 20051101 |
| Effects of benzodiazepines receptor agonists on the hypothalamic-pituitary-adrenocortical axis. | European journal of pharmacology 20050920 |
| Rodent pharmacokinetics and receptor occupancy of the GABAA receptor subtype selective benzodiazepine site ligand L-838417. | Biopharmaceutics & drug disposition 20050101 |
| Anxioselective anxiolytics: can less be more? | European journal of pharmacology 20041001 |
| Subtype-selective GABAergic drugs facilitate extinction of mouse operant behaviour. | Neuropharmacology 20040201 |
| Anxiolytic-like action of diazepam: which GABA(A) receptor subtype is involved? | Trends in pharmacological sciences 20010801 |
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