CAS 143691-37-6 Gyki-53405 (HCID 126756)

Substructure search Find similar structures

Basic information

CAS: 143691-37-6
Standard SMILES: CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1C)OCO3
InChIKey: JACAAXNEHGBPOQ-UHFFFAOYSA-N
Molecular formula: C19H19N3O3
Average molar mass: 337.4 g/mol
Monoisotopic mass: 337.14264148

Names & identifiers

Preferred name: Gyki-53405
IUPAC: 1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone
English name: GYKI 53405
Molecular formula: C19H19N3O3
Molecular weight: 337.37

Names & synonyms

Gyki-53405Gyki 53405RefChem:922638143691-37-6LY 2936061-(4-Aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanoneEthanone, 1-[5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-yl]-GYKI 53774JACAAXNEHGBPOQ-UHFFFAOYSA-NGYKI-53773;LY-300164LY 300165; ent-LY 300164

Show more names

7-Acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepineSCHEMBL118012orb1697025AKOS0305991177H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-DB-063491DB-064417NS00122435

Database identifiers

CAS: 143691-37-6
PubChem CID: 126756
EC Number: 806-210-6
Nikkaji: J660.383A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 77.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 544

Physicochemical properties

Symbol(GHS): 9 · GHS09,GHS06
Signal word: Danger
Hazard statements: 410 · H410-H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS09,GHS06
Hazard statements: H410-H301
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501

Chemistry & industry

Applications · 1 item

DescriptionGYKI-53405, also known as LY 293606, is a noncompetitive AMPA receptor antagonist. GYKI-53405 binds specifically to Xenopus brain membranes with KD and Bmax values of 4.5 microM and 35 pmol mg-1 protein respectively. Binding is increased in the presence of Mg2+ and is unaffected by AMPA or kainate.