Krm-II-81
Basic information
- CAS
2014348-91-3- Standard SMILES
C#Cc1ccc2c(c1)C(c1ccccn1)=NCc1c(-c3cnco3)ncn1-2- InChIKey
KNCUEWYWBUIFTQ-UHFFFAOYSA-N- Molecular formula
- C21H13N5O
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.11201006
Names & identifiers
- Preferred name
- Krm-II-81
- IUPAC
- 5-(8-ethynyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,3-oxazole
- English name
- KRM-II-81
- Molecular formula
- C21H13N5O
- Molecular weight
- 351.36
Names & synonyms
KRM-II-812014348-91-3CHEMBL40622255-(8-ethynyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,3-oxazole5-(8-ethynyl-6-(pyridin-2-yl)-4H-benzo[f]imidazo[1,5-a][1,4]diazepin-3-yl)oxazoleorb1700224SCHEMBL18105371SCHEMBL29517931SCHEMBL29712039DTXSID701361830GLXC-20154BDBM50259814
Show more names
KRMII81,KRM II 814H-Imidazo[1,5-a][1,4]benzodiazepine, 8-ethynyl-3-(5-oxazolyl)-6-(2-pyridinyl)-
AKOS040748680T27744
Database identifiers
- CAS
2014348-91-3- PubChem CID
- 122582003
- DTXSID
DTXSID701361830- ChEMBL
CHEMBL4062225- Nikkaji
- J3.616.664I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 627
Physicochemical properties
- Boiling point
- 612.4 · 612.4±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.19(Predicted)
Chemistry & industry
Applications
DescriptionKRM-II-81 is a a Novel γAminobutyric Acid Type A (GABAA) Receptor Ligand That Combines Outstanding Metabolic Stability, Pharmacokinetics, and Anxiolytic Efficacy. KRM-II-81 exhibited improved anxiolytic-like effects in a mouse marble burying assay and a rat Vogel conflict test.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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