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Naldemedine (tosylate) [1345728-04-2]

HY-19627A
MedChem Express
CAS Number1345728-04-2
Product group Chemicals
Estimated Purity92.16
Molecular Weight742.84
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Overview

  • Supplier
    MedChem Express
  • Product Name
    Naldemedine (tosylate) [1345728-04-2]
  • Delivery Days Customer
    10
  • CAS Number
    1345728-04-2
  • Certification
    Research Use Only
  • Estimated Purity
    92.16
  • Molecular Formula
    C39H42N4O9S
  • Molecular Weight
    742.84
  • Scientific Description
    Naldemedine (S-297995) tosylate is an orally active micro-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 micro-, delta-, and kappa- 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].
  • 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
  • Storage Instruction
    -20°C
  • UNSPSC
    12352200