916072-89-4

Naldemedine Chemical Structure
916072-89-4

Chemical Structure

Naldemedine

Synonym(s): S-297995

  • CAS No.: 916072-89-4
  • Formula:C32H34N4O6
  • Molecular Weight:570.64

IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide

InChIKey: AXQACEQYCPKDMV-RZAWKFBISA-N

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

Biological Activity: 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].

Cat. No. Nom du produit Pureté Description Pricing
HY-19627 		Naldemedine Naldemedine (S-297995) is an orally active μ-opioid receptor antagonist (PAMORA). 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. Naldemedine can be used in opioid-induced constipation (OIC) research. Naldemedine is predicted to bind to 3CLpro encoded by SARS-CoV2 genome.
Pricing 
Expand Hide
loading...
/
  • /
loading...
Size Price
Stock Quantity Availability Operate
/
In-stock
(Estimated to ship on )
(Estimated to ship TODAY)
Estimated to ship on
(Estimated to ship TODAY)

Amount:

USD 0.00

This product is a controlled substance and not for sale in your territory.

This product is not for sale in your territory.

Pricing 
Expand Hide
References

Keywords