Home Other Building Blocks CL 218872

CL 218872

CAS No.:
66548-69-4
Catalog Number:
AG00FCF0
Molecular Formula:
C13H9F3N4
Molecular Weight:
278.2326
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00FCF0
Chemical Name:
CL 218872
CAS Number:
66548-69-4
Molecular Formula:
C13H9F3N4
Molecular Weight:
278.2326
MDL Number:
MFCD00674912
IUPAC Name:
3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
InChI Key:
GUOQUXNJZHGPQF-UHFFFAOYSA-N
SMILES:
Cc1nnc2n1nc(cc2)c1cccc(c1)C(F)(F)F
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.078g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.238g/mol
Monoisotopic Mass:
278.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Design, synthesis, and subtype selectivity of 3,6-disubstituted β-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse. Bioorganic & medicinal chemistry 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
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
Pharmacological properties of GABAA receptors containing gamma1 subunits. Molecular pharmacology 20060201
Anti-conflict effects of benzodiazepines in rhesus monkeys: relationship with therapeutic doses in humans and role of GABAA receptors. Psychopharmacology 20060101
Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4-triazolo[3,4-a]phthalazines as GABA A receptor agonists at the alpha3 subunit. Journal of medicinal chemistry 20050310
3-phenyl-6-(2-pyridyl)methyloxy-1,2,4-triazolo[3,4-a]phthalazines and analogues: high-affinity gamma-aminobutyric acid-A benzodiazepine receptor ligands with alpha 2, alpha 3, and alpha 5-subtype binding selectivity over alpha 1. Journal of medicinal chemistry 20040325
Spatial learning deficits induced by muscimol and CL218,872: lack of effect of prenatal malnutrition. Nutritional neuroscience 20031201
Discriminative stimulus effects of zolpidem in squirrel monkeys: role of GABA(A)/alpha1 receptors. Psychopharmacology 20030101
Mechanism of alpha-subunit selectivity of benzodiazepine pharmacology at gamma-aminobutyric acid type A receptors. European journal of pharmacology 20020215
Identification of amino acid residues responsible for the alpha5 subunit binding selectivity of L-655,708, a benzodiazepine binding site ligand at the GABA(A) receptor. Journal of neurochemistry 20010401
Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach. Journal of medicinal chemistry 20000113
Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423) at wild type and recombinant GABAA receptors. Journal of medicinal chemistry 19980702
Cloning of cDNAs encoding the human gamma-aminobutyric acid type A receptor alpha 6 subunit and characterization of the pharmacology of alpha 6-containing receptors. Molecular pharmacology 19960201
Expression and pharmacology of human GABAA receptors containing gamma 3 subunits. European journal of pharmacology 19951130
Four amino acid exchanges convert a diazepam-insensitive, inverse agonist-preferring GABAA receptor into a diazepam-preferring GABAA receptor. Journal of medicinal chemistry 19941223
Type I and type II GABAA-benzodiazepine receptors produced in transfected cells. Science (New York, N.Y.) 19890922
The benzodiazepine receptor ligand CL218,872 has both anxiolytic and sedative properties in rodents. Neuropharmacology 19840701
Properties