Basic information
- CAS
169105-89-9- Standard SMILES
OC[C@H]1CNC[C@@H](O)[C@@H]1O- InChIKey
QPYJXFZUIJOGNX-HSUXUTPPSA-N- Molecular formula
- C6H13NO3
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.08954328
Overview
Afegostat is a member of piperidines.
Names & identifiers
- Preferred name
- Afegostat
- IUPAC
- (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
- English name
- ISOFAGOMINE, HYDROCHLORIDE
- Molecular formula
- C6H13NO3
- Molecular weight
- 147.17
Names & synonyms
AfegostatIsofagomine(3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL169105-89-9iso-Fagomine5-Hydroxymethyl-3,4-piperidinediolG23AP190YS3,4-piperidinediol, 5-(hydroxymethyl)-, (3R,4R,5R)-DTXSID20168651afegostatumRefChem:553134DTXCID0091142
Show more names
Unii-G23ap190ysIsofagomineHydrochlroideSOFAGOMINE, HYDROCHLORIDE5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL
CHEBI:43325D-Isofagomine5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINECHEMBL206468IFMIsofagomine, hydrochlorideAfegostat [INN]Isofagomine hydrochloride
Database identifiers
- CAS
169105-89-9- PubChem CID
- 447607
- DTXSID
DTXSID20168651- ChEMBL
CHEMBL206468- ChEBI
CHEBI:194390- UNII
- G23AP190YS
- Nikkaji
- J716.157C
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 317.2 · 317.2±37.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Soluble in DMSO
- pka
- 14.19 · 14.19±0.60(Predicted)
- form
- Oil
- color
- Colorless to light yellow
- FDA UNII
- 23 AP190YS · G23AP190YS
Chemistry & industry
Applications
UsesIsofagomine is a selective Inhibitor of β-Glycosidases.
UsesA selective and very strong inhibitor of Glucosidase (Ki0.11uM)
Suppliers33 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宁波苯康基石医药科技有限公司15990591583
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
10 records
Compound notes
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