4-[2-[(2,4-Dimethylphenyl)thio]phenyl]-morpholinyl-2-N-1-O-amino-Beta-D-glucopyranuronic Acid 2,3,4-Triacetate Methyl Ester

Ref. TR-D480230

Product Information

• Name: 4-[2-[(2,4-Dimethylphenyl)thio]phenyl]-morpholinyl-2-N-1-O-amino-Beta-D-glucopyranuronic Acid 2,3,4-Triacetate Methyl Ester
• Synonyms: (2S,3R,4S,5S,6S)-2-(((4-(2-((2,4-Dimethylphenyl)thio)phenyl)morpholin-2-yl)amino)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl Triacetate

Description

Applications 4-[2-[(2,4-Dimethylphenyl)thio]phenyl]-morpholinyl-2-N-1-O-amino-β-D-glucopyranuronic Acid 2,3,4-Triacetate Methyl Ester is an intermediate in synthesizing N-Hydroxy Vortioxetine O-β-D-Glucuronide Sodium Salt (H996005), which is a metabolite of Vortioxetine (V766000, HBr); a multimodal serotonergic agent which inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT.
References Bang-Andersen, B., et al.: J. Med. Chem., 54, 3206 (2011); Mørk, A., et al.: J. Pharmacol. Exp. Ther., 340, 666 (2012); Mørk, A., et al.: Pharmacol. Biochem. Behav. 105C, 41 (2013); Uldam, H.K., et al.: Drug Metab. Dispos., 39, 2264 (2011);

• Brand: TRC

Chemical properties

• Molecular weight: 646.71
• Formula: C₃₁H₃₈N₂O₁₁S
• Color/Form: Off-White Solid
• InChI: InChI=1S/C31H38N2O11S/c1-17-11-12-23(18(2)15-17)45-24-10-8-7-9-22(24)33-13-14-39-25(16-33)32-44-31-29(42-21(5)36)27(41-20(4)35)26(40-19(3)34)28(43-31)30(37)38-6/h7-12,15,25-29,31-32H,13-14,16H2,1-6H3/t25?,26-,27-,28-,29+,31-/m0/s1
• InChI key: InChIKey=PHSCPMOPQYLXCG-MAQCAYSPSA-N
• SMILES: COC(=O)[C@H]1O[C@@H](ONC2CN(c3ccccc3Sc3ccc(C)cc3C)CCO2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O