Naldemedine (tosylate)
Naldemedine (S-297995) tosylate is an orally active μ-opioid receptor antagonist (PAMORA) [1]. Naldemedine tosylate shows potent binding affinities (Ki=0.34, 0.43, 0.94 nM, respectively) and antagonist activities (IC50=25.57, 7.09, 16.1 nM, respectively) for recombinant human μ-, δ-, and κ- opioid receptors[2]. Naldemedine can be used in opioid-induced constipation (OIC) research[2]. Naldemedine tosylate is predicted to bind to 3CLpro encoded by SARS-CoV2 genome[3].
Product Specifications
CAS Number
1345728-04-2
Product Name Alternative
S-297995 (tosylate)
UNSPSC
12352005
Hazard Statement
H302, H312, H332
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/naldemedine-tosylate.html
Purity
92.16
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O[C@@]1(CC(C(NC(C)(C2=NC(C3=CC=CC=C3)=NO2)C)=O)=C4O)[C@@]([C@@]4([H])OC5=C6O)(CC7)C5=C(C=C6)C[C@@]1([H])N7CC8CC8.CC9=CC=C(S(=O)(O)=O)C=C9
Molecular Formula
C39H42N4O9S
Molecular Weight
742.84
Precautions
H302, H312, H332
References & Citations
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
μ Opioid Receptor/MOR
Available Sizes
Frequently Asked Questions
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