Miglitol

Details

• Internal ID: dc9839e3-ed5f-4ab0-a237-9f1335cd00b1
• Taxonomy: Organoheterocyclic compounds > Piperidines
• IUPAC Name: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
• SMILES (Canonical): C1C(C(C(C(N1CCO)CO)O)O)O
• SMILES (Isomeric): C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O
• InChI: InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
• InChI Key: IBAQFPQHRJAVAV-ULAWRXDQSA-N
• Popularity: 1,256 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₇NO₅
• Molecular Weight: 207.22 g/mol
• Exact Mass: 207.11067264 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: -2.60

Synonyms

• 72432-03-2
• Glyset
• (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
• Bay-m-1099
• Miglitolum
• Bay m 1099
• Miglitol (Glyset)
• UNII-0V5436JAQW
• Seibule
• Bay 1099
• Miglitolum [Latin]
• 0V5436JAQW
• DTXSID0023323
• HSDB 8022
• (2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
• EINECS 276-661-6
• NSC-758702
• N-(2-Hydroxyethyl)-1-deoxynojirimycin
• CHEMBL1561
• CHEBI:6935
• DTXCID703323
• Diastabol
• N-hydroxylethyl-1-deoxynojirimycin
• Miglitolum (Latin)
• NSC 758702
• Plumarol
• MIGLITOL (MART.)
• MIGLITOL [MART.]
• 3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,5beta))-
• SMR000466381
• CAS-72432-03-2
• Glyset (TN)
• Miglitol [USAN:INN:BAN]
• BAY1099;BAY-m1099
• N-(2-Hydroxyethyl)moranoline
• N-hydroxyethyl-1-desoxynojirimycin
• NCGC00095127-01
• N-hydroxyethyl-1-desoxy-nojirimycin
• MFCD00867240
• SK-983
• baym1099
• MIGLITOL [USAN]
• MIGLITOL [INN]
• MIGLITOL [JAN]
• MIGLITOL [MI]
• MIGLITOL [VANDF]
• Bay m1009
• MIGLITOL [WHO-DD]
• 1,5-Dideoxy-1,5-
• SCHEMBL22593
• MLS000759514
• MLS001424128
• MLS006011963
• BIDD:GT0732
• BAY o1099
• BAY-m1099
• MIGLITOL [ORANGE BOOK]
• cid_441314
• GTPL4842
• Miglitol (JP17/USAN/INN)
• BAY1099
• HMS2051D05
• HMS3713J07
• HY-B0481
• Tox21_111436
• BDBM50242271
• AKOS015969689
• Tox21_111436_1
• CCG-100920
• DB00491
• KS-1242
• NC00170
• NCGC00270540-02
• N-(beta-Hydroxyethyl)-1-deoxynojirimycin
• M2302
• S2589
• C07708
• C76308
• D00625
• EN300-119541
• AB00639982-06
• AB00639982_08
• N-hydroxyethyl-1-desoxynojirimycin (BAY o1099)
• A837526
• Q772735
• SR-01000759413
• SR-01000759413-4
• W-104490
• 1,5-Dideoxy-1,5-((2-hydroxyethyl)imino)-D-glucitol
• BRD-K44779798-001-06-5
• Z1269163651
• (2R,3R,4R,5S)-1-ethoxy-2-(hydroxymethyl)piperidine-3,4,5-triol
• (4R,5R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
• (2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(2-hydroxymethyl)-3,4,5-piperidinetriol
• 1204250-58-7
• 3,4,5-PIPERIDINETRIOL, 1-(2-HYDROXYETHYL)-2-(HYDROXYMETHYL)-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.,5.BETA.))-
• 3,4,5-piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha, 5beta))-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2608	P10253	Lysosomal alpha-glucosidase	350 nM; 707.9 nM	IC50; Potency	via Super-PRED; via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.70%	96.09%
CHEMBL3761	Q9HCG7	Beta-glucosidase	92.55%	99.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.93%	97.25%
CHEMBL2581	P07339	Cathepsin D	85.52%	98.95%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	85.33%	96.03%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.40%	97.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.18%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	81.22%	95.93%

Plants that contains it

• Hintonia latiflora

Cross-Links

• PubChem: 441314
• LOTUS: LTS0233179
• wikiData: Q772735