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Naldemedine

CAT: 0804-HY-19627Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19627Size:1 Each
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Description
Naldemedine (S-297995) is an orally active μ-opioid receptor antagonist (PAMORA) [1]. Naldemedine 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 is predicted to bind to 3CLpro encoded by SARS-CoV2 genome[3].
CAS Number
916072-89-4
Product Name Alternative
S-297995
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/naldemedine.html
Solubility
10 mM in DMSO
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
Molecular Formula
C32H34N4O6
Molecular Weight
570.64
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
References & Citations
[1]Hannah A. Blair. Naldemedine: A Review in Opioid-Induced Constipation. Drugs. 2019 Jul;79 (11) :1241-1247.|[2]Toshiyuki Kanemasa, et al. Pharmacologic effects of naldemedine, a peripherally acting μ-opioid receptor antagonist, in in vitro and in vivo models of opioid-induced constipation. Neurogastroenterol Motil. 2019 May;31 (5) :e13563.|[3]Sugandh Kumar, et al. Identification of multipotent drugs for COVID-19 therapeutics with the evaluation of their SARS-CoV2 inhibitory activity. Comput Struct Biotechnol J. 2021;19:1998-2017.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
μ Opioid Receptor/MOR

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326729Naldemedine
CS-EO-02352Naldemedine d6
MBS5813470Naldemedine tosylate
TRC-N232552-50MGNaldemedine-d3
460498-01Naldemedine discontinued
460499-01Naldemedine-d3 discontinued

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