Basic information
- CAS
69567-10-8- Standard SMILES
CN1CC(O)C(O)C(O)C1CO- InChIKey
AAKDPDFZMNYDLR-UHFFFAOYSA-N- Molecular formula
- C7H15NO4
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.10010796
Overview
N-methyl-1-deoxynojirimycin is a hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by a methyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity. It has a role as an anti-HIV agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, a plant metabolite and a cardioprotective agent. It is a piperidine alkaloid, a hydroxypiperidine and a tertiary amino compound. It is functionally related to a duvoglustat.
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol
- IUPAC
- 2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
- English name
- N-Methyl-1-deoxynojirimycin
- Molecular formula
- C7H15NO4
- Molecular weight
- 177.2
Names & synonyms
CHEMBL4187461,5-Dideoxy-1,5-imino-1-methyl-D-sorbitolN-Methylmoranolin3,4,5-Piperidinetriol,2-(hydroxymethyl)-1-methyl-, (2R,3R,4R,5S)-MeDNJN-Methyl-DNJNMDNJMFCD00133609MOR 14;N-Methyl-1-deoxynojirimycin;N-MethylmoranolinLopac0_0007732-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriolSCHEMBL11159128
Show more names
N-MDJNMOR-14N-Me-DNJAids000354Aids-000354N-MethylmoranolineMiglitol Impurity 13N-METHYLDEOXYNOJIRIMYCIN
AAKDPDFZMNYDLR-UHFFFAOYSA-NHMS3261I17Tox21_500368BDBM50076963AKOS030240812CCG-204858LP00368SDCCGSBI-0050751.P002
Database identifiers
- CAS
69567-10-8- PubChem CID
- 4381
- ChEMBL
CHEMBL418746
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
LogP-2.40
Melting Point141 - 142 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 126 · 126-128°C
- Boiling point
- 367.2 · 367.2±42.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly, Sonicated), Water (Slightly)
- form
- Solid
- pka
- 13.71 · 13.71±0.70(Predicted)
- color
- White to Off-White
- biological source
- synthetic (organic)
- BRN
- 1524564 · 1524564
- Stability
- Hygroscopic
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2933999700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesInterfers with the normal processing of N-linked glycoproteins by inhibiting the action of glucosidases that remove glycosyl residues from Glc3Man9GlcNAc2 following the addition of this moiety to a nascent polypeptide.
General DescriptionChemical structure: glucosamine
Suppliers34 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
2 records
Compound notes
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