Data Sheet

MSDS

Naldemedine (tosylate) [CAS 1345728-04-2]

CAS No:	1345728-04-2
Applications:	Metabolism-protein/nucleotide metabolism
MW:	742.84
Formula:	C₃₉H₄₂N₄O₉S
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
Purity:	92.16
Description:	Naldemedine (S-297995) tosylate is an orally active ?-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 ?-, ?-, and ?- 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].
Shipping Conditions:	Ship on cold packs
Usage:	Research Use Only