Molecule

N-Methyl 1-Deoxymannojirimycin

AlkaPlorer ID: AK042139

Synonym: ''

IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol

Structure

SMILES: CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

InChI: InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1

InChIKey: AAKDPDFZMNYDLR-XZBKPIIZSA-N

Reference

Sugars with nitrogen in the ring isolated from the leaves of Morus bombycis

PubChem CID: 92381

CAS: 69567-10-8

LOTUS: LTS0013261

SuperNatural Ⅲ: SN0000317-02

NPASS: NPC170172

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Morus alba	Morus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 177.2

TPSA？: 84.16000000000001

MolLogP？: -2.6246

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Lysosomal alpha-glucosidase	Ki	59.0	nM	10.1021/acs.jmedchem.1c01673
Homo sapiens	Lysosomal alpha-glucosidase	Ki	420.0	nM	10.1016/S0960-894X(97)00012-7
Homo sapiens	Maltase-glucoamylase	IC50	120.0	nM	10.1021/jm00013a012
Homo sapiens	MOLT-4	CC50	100000.0	ug.mL-1	10.1021/jm00013a012
Homo sapiens	MOLT-4	EC50	100000.0	ug.mL-1	10.1021/jm00013a012
Homo sapiens	MT4	CC50	100000.0	ug.mL-1	10.1021/jm00013a012
Homo sapiens	MT4	EC50	69000.0	ug.mL-1	10.1021/jm00013a012
Mus musculus	Lysosomal alpha-glucosidase	EC50	74500.0	nM	None
Rattus norvegicus	Alpha-mannosidase 2C1	IC50	500000.0	nM	10.1021/jm00013a012
Rattus norvegicus	Lactase-glycosylceramidase	IC50	4400.0	nM	10.1021/jm00013a012
Rattus norvegicus	Mannosidase 2 alpha 1	IC50	50000.0	nM	10.1021/jm00013a012
Rattus norvegicus	Mannosidase 2 alpha 1	Ki	50000.0	nM	10.1021/jm00013a012
Rattus norvegicus	Mannosidase 2, alpha B1	IC50	1000000.0	nM	10.1021/jm00013a012
Rattus norvegicus	Rattus norvegicus	T1/2	1.7	hr	10.1016/S0960-894X(97)00012-7
Rattus norvegicus	Sucrase-isomaltase	IC50	40.0	nM	10.1021/jm00013a012
Rattus norvegicus	Sucrase-isomaltase	IC50	4400.0	nM	10.1021/jm00013a012
Rattus norvegicus	Sucrase-isomaltase	Ki	20.0	nM	10.1016/S0960-894X(97)00012-7
Rattus norvegicus	Trehalase	IC50	28000.0	nM	10.1021/jm00013a012
None	ADMET	T1/2	3.5	hr	10.1016/S0960-894X(97)00012-7
None	Unchecked	IC50	1500.0	nM	10.1021/jm00013a012
None	Unchecked	IC50	20000.0	nM	10.1021/jm00013a012
None	Unchecked	IC50	120000.0	nM	10.1021/jm00013a012
None	Unchecked	Inhibition	nan	%	10.1038/nchembio873
None	Unchecked	Ki	5800.0	nM	10.1021/jm00013a012
None	Unchecked	Ratio	21.0	None	10.1016/S0960-894X(97)00012-7