Ro4938581

Ro4938581
Identifiers
	IUPAC name 3-Bromo-10-(difluoromethyl)-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine;
CAS Number	883093-10-5 ;
PubChem CID	11624499;
IUPHAR/BPS	4299;
ChemSpider	9799246;
UNII	ZK5NA2M82J;
ChEMBL	ChEMBL1080588;
CompTox Dashboard (EPA)	DTXSID601045378 ;
Chemical and physical data
Formula	C13H8BrF2N5
Molar mass	352.143 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES FC(F)C(N=C1)=C(N1C2=C3C=C(Br)C=C2)CN4C3=NC=N4;
	InChI InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2; Key:AFJRYPJIKHMNGL-UHFFFAOYSA-N;

Ro4938581 is a nootropic drug invented in 2009 by a team working for Hoffmann-La Roche, which acts as a subtype-selective inverse agonist at the α₅ subtype of the benzodiazepine binding site on the GABA_A receptor. It has good selectivity for the α₅ subtype and did not produce convulsant or anxiogenic effects in animal studies, making it a promising potential nootropic.^[1]^[2]^[3] Ro4938581 and a related derivative basmisanil (RG-1662, RO5186582) have subsequently been investigated for the alleviation of cognitive dysfunction in Down syndrome.^[4]^[5]

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Identifiers

IUPAC name 3-Bromo-10-(difluoromethyl)-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine
CAS Number	883093-10-5^Y
PubChem CID	11624499
IUPHAR/BPS	4299
ChemSpider	9799246
UNII	ZK5NA2M82J
ChEMBL	ChEMBL1080588
CompTox Dashboard (EPA)	DTXSID601045378
Chemical and physical data
Formula	C₁₃H₈BrF₂N₅
Molar mass	352.143 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES FC(F)C(N=C1)=C(N1C2=C3C=C(Br)C=C2)CN4C3=NC=N4
InChI InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2 Key:AFJRYPJIKHMNGL-UHFFFAOYSA-N