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MRK-016

CAT: 0013-GTR19243330-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243330-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRK-016 is a potent, brain-penetrant, and orally bioavailable inverse agonist of the GABAA α5 receptor (IC50=3 nM) . It enhances hippocampal LTP in vitro and demonstrates potential for cognitive enhancement, antidepressant-like effects, and analgesia in preclinical models.
CAS Number
342652-67-9
Product Name Alternative
MRK 016, MRK016, MRK-016
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.76% (May vary between batches)
Solubility
DMSO:40 mg/mL (108.58 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.43 mM)
Smiles
N=1N=C (C2=NOC (=C2) C) N3N=C (OCC4=NC=NN4C) C (=C3C1) C (C) (C) C
Molecular Formula
C17H20N8O2
Molecular Weight
368.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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
CAS Number342652-67-9
PubChem CID6918583
IUPAC Name3-[3-tert-butyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazin-7-yl]-5-methyl-1,2-oxazole
Molecular FormulaC17H20N8O2
Molecular Weight368.4
XLogP1.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity518
SMILES
CC1=CC(=NO1)C2=NN=CC3=C(C(=NN32)OCC4=NC=NN4C)C(C)(C)C
InChI
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
InChIKey
QYSYOGCIDRANAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure 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
CAS: 342652-67-9
CID: 6918583
Formula: C17H20N8O2
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass368.17092191
Monoisotopic Mass368.17092191
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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