Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H21N3S2.C4H6O6 |
| Molecular Weight | 433.543 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCCCSC1=NSN=C1[C@@H]2CN3CCC2CC3
InChI
InChIKey=KLWOCMMRVISIQR-VUAFVNRWSA-N
InChI=1S/C13H21N3S2.C4H6O6/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16;5-1(3(7)8)2(6)4(9)10/h10-11H,2-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m11/s1
Vedaclidine [LY 297802, NNC 101053, NNC 111053, butylthio[2.2.2]], a quinuclidine, is a muscarinic receptor agonist being developed by Novo Nordisk and Eli Lilly as an analgesic drug. Vedaclidine is a muscarinic receptor ligand which is equiefficacious to morphine in producing antinociception. In vitro, Vedaclidine had high affinity for muscarinic receptors in brain homogenates, but had substantially less or no affinity for several other neurotransmiter receptors and uptake sites. Its pharmacological profile suggests that it may have clinical utility in the management of pain as an alternative to opioids.
Originator
Approval Year
Sample Use Guides
In isolated tissues, Vedaclidine was an agonist with high affinity for M1 receptors in the rabbit vas deferens (IC50 = 0.33 nM), but it was an antagonist at M2 receptors in guinea pig atria (pA2 = 6.9) and at M3 receptors in guinea pig urinary bladder (pA2 = 7.4) and a weak partial agonist in guinea pig ileum, which contains a heterogeneous population of muscarinic receptors.
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099J5LTJ25
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DTXSID20161763
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9889092
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141575-51-1
Created by
admin on Mon Mar 31 18:12:11 GMT 2025 , Edited by admin on Mon Mar 31 18:12:11 GMT 2025
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ACTIVE MOIETY
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