| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H20N8O2 |
| Molecular Weight | 368.3931 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1N=CN=C1COC2=NN3C(C=NN=C3C4=NOC(C)=C4)=C2C(C)(C)C
InChI
InChIKey=QYSYOGCIDRANAR-UHFFFAOYSA-N
InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
| Molecular Formula | C17H20N8O2 |
| Molecular Weight | 368.3931 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Originator
Approval Year
PubMed
Patents
Sample Use Guides
in animals: 1 mg/kg of a 1 mg/ml solution in 50% polyethylene glycol 300 was administered after overnight food deprivation to either male Sprague-Dawley rats (∼300 g; n = 6), female beagle dogs (∼12 kg; n = 3), or male rhesus monkeys (∼4 kg; n = 3)
Route of Administration:
Intravenous
MRK-016 is clearly an GABAA α5-selective inverse agonist, it has much greater efficacy at the α5 subtype (maximal efficacy, −55%) compared with the α1, α2, or α3 subtypes respective maximal efficacy values, −16, +6, and −9%, respectively). Most notably, however, the efficacy of MRK-016 at the α5 subtype (−55%) is greater than that observed for α5IA (−40%) and is comparable with the α5 inverse agonism of the nonselective full inverse agonist DMCM (−57%)