3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine - CAS 215874-86-5

Name: 3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016989
Product Name:	3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine
CAS:	215874-86-5
Synonyms:	5-methyl-3-[6-[(1-methyl-4-triazolyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]isoxazole; 5-methyl-3-[6-[(1-methyltriazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

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IUPAC Name:	5-methyl-3-[6-[(1-methyltriazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
Description:	3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine (CAS# 215874-86-5) is an α5-selective inverse agonist which enhance cognitive performance in rodents and encouraging in human. A triazolophthalazine that selectively attentuates the effects of GABA at GABAA receptors.
Molecular Weight:	362.35
Molecular Formula:	C17H14N8O2
Canonical SMILES:	CC1=CC(=NO1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC5=CN(N=N5)C
InChI:	InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
InChI Key:	NZMJFRXKGUCYNP-UHFFFAOYSA-N
LogP:	1.94840

Publication Number	Title	Priority Date
CN-112979655-A	Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof	20191216
EP-3766882-A1	Phthalazine isoxazole alkoxy derivatives, preparation method thereof, pharmaceutical composition and use thereof	20180312
US-2021009598-A1	Phthalazine isoxazole alkoxy derivatives, preparation method thereof, pharmaceutical composition and use thereof	20180312
US-2021023091-A1	Treatment of conditions associated with myotonic dystrophy	20170510
US-2019002502-A1	Cell-Permeable Inhibitory Agent and Methods of Use Thereof in Treatment of Cognitive and Mood Disorders	20151216

PMID	Publication Date	Title	Journal
21693554	20110801	Specific targeting of the GABA-A receptor α5 subtype by a selective inverse agonist restores cognitive deficits in Down syndrome mice	Journal of psychopharmacology (Oxford, England)
22028705	20110101	Chronic Treatment with a Promnesiant GABA-A α5-Selective Inverse Agonist Increases Immediate Early Genes Expression during Memory Processing in Mice and Rectifies Their Expression Levels in a Down Syndrome Mouse Model	Advances in pharmacological sciences
20696179	20101201	Occupancy of human brain GABA(A) receptors by the novel α5 subtype-selective benzodiazepine site inverse agonist α5IA as measured using [¹¹C]flumazenil PET imaging	Neuropharmacology
19770002	20100101	Preclinical and clinical pharmacology of the GABAA receptor alpha5 subtype-selective inverse agonist alpha5IA	Pharmacology & therapeutics
19704033	20091101	In vitro and in vivo properties of 3-tert-butyl-7-(5-methylisoxazol-3-yl)-2-(1-methyl-1H-1,2,4-triazol-5-ylmethoxy)-pyrazolo[1,5-d]-[1,2,4]triazine (MRK-016), a GABAA receptor alpha5 subtype-selective inverse agonist	The Journal of pharmacology and experimental therapeutics

Complexity:	527
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	362.12397172
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	362.12397172
Rotatable Bond Count:	4
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1

3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine - CAS 215874-86-5

Technical Data

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