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Enadoline (hydrochloride)

CAT: 0804-HY-105235ASize: 1 EachDry Ice: NoHazardous: No
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Description
Enadoline (CI-977) hydrochloride is a highly selective, brain-penetrating, and nonpeptide kappa-opioid receptor (KOR) agonist (Ki=1.25 nM) . Antinociceptive effects[1][2].
CAS Number
124439-07-2
Product Name Alternative
CI-977 (hydrochloride)
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/enadoline-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
O=C(CC1=C2C(OC=C2)=CC=C1)N([C@@H]3[C@](N4CCCC4)([H])C[C@]5(CCCO5)CC3)C.Cl
Molecular Formula
C24H33ClN2O3
Molecular Weight
432.98
References & Citations
[1]Field MJ, et al. Enadoline, a selective kappa-opioid receptor agonist shows potent antihyperalgesic and antiallodynic actions in a rat model of surgical pain. Pain. 1999;80 (1-2) :383-389. |[2]Vanderah TW, Largent-Milnes T, Lai J, et al. Novel D-amino acid tetrapeptides produce potent antinociception by selectively acting at peripheral kappa-opioid receptors. Eur J Pharmacol. 2008;583 (1) :62-72.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Benzofuranacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, hydrochloride (1:1)

Dilevalol hydrochloride is the hydrochloride salt of dilevalol. It contains a dilevalol(1+).

CAS Number124439-07-2
PubChem CID60767
IUPAC Name2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
Molecular FormulaC24H33ClN2O3
Molecular Weight433.0
Topological Polar Surface Area45.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity593
SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4.Cl
InChI
InChI=1S/C24H32N2O3.ClH/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;1H/t20-,21-,24-;/m0./s1
InChIKey
ZVVAINSYJGRDTR-TYLGTTGKSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzofuranacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, hydrochloride (1:1)
CAS: 124439-07-2
CID: 60767
Formula: C24H33ClN2O3
MW: 433.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass432.2179706
Monoisotopic Mass432.2179706
Topological Polar Surface Area45.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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