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(Rac) -Enadoline

CAT: 0804-HY-105236Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-105236Size:1 Each
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Description
(Rac) -Enadoline ((Rac) -CI-977 free base) is a selective K-opioid receptor agonist that stereoselectively antagonizes clonic seizures induced by slow intravenous injection of N-methyl-DL-aspartate in mice[1].
CAS Number
107431-28-7
Product Name Alternative
(Rac) -CI-977 (free base)
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rac-enadoline.html
Smiles
O=C(CC1=CC=CC2=C1C=CO2)N(C3C(N4CCCC4)CC5(CCCO5)CC3)C
Molecular Formula
C24H32N2O3
Molecular Weight
396.52
References & Citations
[1]Singh L, et al. The anticonvulsant action of CI-977, a selective κ-opioid receptor agonist: a possible involvement of the glycine/NMDA receptor complex[J]. European journal of pharmacology, 1990, 191 (3) : 477-480.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Benzofuranacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-
CAS Number107431-28-7
PubChem CID107996
IUPAC Name2-(1-benzofuran-4-yl)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
Molecular FormulaC24H32N2O3
Molecular Weight396.5
XLogP3.4
Topological Polar Surface Area45.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity593
SMILES
CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4
InChI
InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3
InChIKey
JMBYBVLCYODBJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzofuranacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-
CAS: 107431-28-7
CID: 107996
Formula: C24H32N2O3
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass396.24129289
Monoisotopic Mass396.24129289
Topological Polar Surface Area45.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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