SNC80   Click here for help

GtoPdb Ligand ID: 1611

Synonyms: NSC707484
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 36.02
Molecular weight 449.3
XLogP 4.83
No. Lipinski's rules broken 0
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Canonical SMILES C=CCN1CC(C)N(CC1C)C(c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC
Isomeric SMILES C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC
InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
1. Calderon SN, Rothman RB, Porreca F, Flippen-Anderson JL, McNutt RW, Xu H, Smith LE, Bilsky EJ, Davis P, Rice KC. (1994)
Probes for narcotic receptor mediated phenomena. 19. Synthesis of (+)-4-[(alpha R)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3- methoxybenzyl]-N,N-diethylbenzamide (SNC 80): a highly selective, nonpeptide delta opioid receptor agonist.
J Med Chem, 37 (14): 2125-8. [PMID:8035418]
2. Quock RM, Hosohata Y, Knapp RJ, Burkey TH, Hosohata K, Zhang X, Rice KC, Nagase H, Hruby VJ, Porreca F et al.. (1997)
Relative efficacies of delta-opioid receptor agonists at the cloned human delta-opioid receptor.
Eur J Pharmacol, 326 (1): 101-4. [PMID:9178661]