Basic information
- CAS
159094-94-7- Standard SMILES
O=C(O)C1=CCCN(CCON=C(c2ccccc2)c2ccccc2)C1- InChIKey
NGNALWDRPKNJGR-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Overview
1-[2-[(diphenylmethylene)amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is a diarylmethane.
Names & identifiers
- Preferred name
- NO 711
- IUPAC
- 1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
- English name
- 3-Pyridinecarboxylic acid, 1-[2-[[(diphenylmethylene)amino]oxy]ethyl]-1,2,5,6-tetrahydro-
- Molecular formula
- C21H22N2O3
- Molecular weight
- 350.41
Names & synonyms
159094-94-7NO-711BGU9MZ2G303-Pyridinecarboxylic acid, 1-(2-(((diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydro-DTXSID30166582NO 7113-Pyridinecarboxylic acid, 1-[2-[[(diphenylmethylene)amino]oxy]ethyl]-1,2,5,6-tetrahydro-RefChem:927846DTXCID9089073CHEMBL4731041-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid1-(2-(((Diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid
Show more names
CHEMBL5450501-(2-(((Diphenylmethylene)amino)oxy)ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylicacidUNII-BGU9MZ2G30Tocris-1779Lopac-N-142Biomol-NT_000271Lopac0_000880BPBio1_000948
Database identifiers
- CAS
159094-94-7- PubChem CID
- 4515
- DTXSID
DTXSID30166582
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 541.2 · 541.2±60.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.20(Predicted)
- FDA UNII
- 9 MZ2G30 · BGU9MZ2G30
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Drugs that inhibit the transport of neurotransmitters into axon terminals or into storage vesicles within terminals. For many transmitters, uptake determines the time course of transmitter action so inhibiting uptake prolongs the activity of the transmitter. Blocking uptake may also deplete available transmitter stores. Many clinically important drugs are uptake inhibitors although the indirect reactions of the brain rather than the acute block of uptake itself is often responsible for the therapeutic effects.
Drugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
Applications
UsesNO-711 (NNC-711) free acid is a novel potent and selective inhibitor of γ-aminobutyric acid uptake. NO-711 inhibits synaptosomal (IC50 = 47 nM), neuronal (IC50 = 1238 nM) and glial (IC50 = 636 nM) GABA uptake in vitro[1].
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: 1-[2-[(diphenylmethylene)amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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