Compound: 19130-96-2
SMILES: O[C@H]1[C@H](O)[C@H](NC[C@@H]1O)CO
InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N
Synonyms: 19130-96-2, DUVOGLUSTAT, deoxynojirimycin, Moranolin, 1,5-Dideoxy-1,5-imino-D-glucitol, D-1-deoxynojirimycin, 1 Deoxynojirimycin, Nojirimycin, 1-deoxy-, BAY-h-5595, 5-Amino-1,5-dideoxy-D-glucopyranose, 1,5-dideoxy-1,5-imino-, FZ56898FLE, CHEBI:44369, DTXSID70172647, 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-, duvoglustatum, RefChem:388743, DTXCID4095138, 606-239-2, 1-DEOXYNOJIRIMYCIN, (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Moranoline, (2R,3R,4R,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol, 1,5-Deoxy-1,5-imino-D-mannitol, MFCD00063474, DNJ, (+)-1-DEOXYNOJIRIMYCIN, 1-deoxynojirimycin (DNJ), 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3R,4R,5S)-, 1-DNJ, CHEMBL307429, 1-Deoxy-Nojirimycin, S-GI, 1oim, DNM, Duvoglustat (hydrochloride), Duvoglustat [USAN:INN], UNII-FZ56898FLE, BAY-h 5595, NOJ, DUVOGLUSTAT [INN], Duvoglustat (USAN/INN), DUVOGLUSTAT [USAN], EC 606-239-2, SCHEMBL2969, BSPBio_000993, 1-Deoxynojirimycin (Standard), GTPL4642, orb1303921, 1-DEOXYNOJIRIMYCIN [MI], BDBM18351, 2j77, Bio1_000415, Bio1_000904, Bio1_001393, HMS1792A15, HMS1990A15, HMS3267J09, HMS3403A15, MSK10764, 1,5-Dideoxy-1,5-imino-D-sorbitol, HB4599, HY-14860R, s3839, 1,5-didesoxy-1,5-imino-D-glucitol, 1, 5-dideoxy-1,5-imino-D-glucitol, AKOS006275143, 1-Deoxynojirimycin, analytical standard, AC-1386, CCG-266301, CS-5594, DB03206, EBC-457050, MD05255, SMP2_000333, NCGC00025085-02, NCGC00025085-03, BS-15755, HY-14860, Miglustat Impurity 1(1-Deoxynojirimycin), SY032317, D5612, NS00009621, D09605, M01692, EN300-7411893, GLUCOPYRANOSE, 5-AMINO-1,5-DIDEOXY-, D-, SR-01000597392, 2R- (hydroxymethyl)- 3R, 4R, 5S- piperidinetriol, SR-01000597392-1, Q15274561, (2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-triol, 10, 3,4,5-PIPERIDINETRIOL, 2-(HYDROXYMETHYL)-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.,5.BETA.))-
Theoretical properties:
molecular_formula: C6H13NO4
molecular_weight: 163.17 g/mol
exact_mass: 163.08445790 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 93 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Duvoglustat is an optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. It has a role as a hypoglycemic agent, a hepatoprotective agent, an anti-HIV agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an anti-obesity agent, a plant metabolite and a bacterial metabolite. It is a piperidine alkaloid and a 2-(hydroxymethyl)piperidine-3,4,5-triol.
chebi: An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>-configuration.
chembl: DUVOGLUSTAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: 1-Deoxynojirimycin (DNJ or 1-DNJ), also called duvoglustat or moranolin, is an alpha-glucosidase inhibitor, most commonly found in mulberry leaves. Although it can be obtained in small quantities by brewing an herbal tea from mulberry leaves, interest in commercial production has led to research on developing mulberry tea higher in DNJ, and on alternate routes of production, such as via Bacillus species.