Basic information
- CAS
80879-63-6- Standard SMILES
CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1- InChIKey
NWWORXYTJRPSMC-QKPAOTATSA-N- Molecular formula
- C17H25NO7
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.16310214
Overview
Emiglitate is an organic molecular entity.
Names & identifiers
- Preferred name
- Emiglitate
- IUPAC
- ethyl 4-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzoate
- English name
- 1,5-dideoxy-1,5-[[2-[4-(ethoxycarbonyl)phenoxy]ethyl]imino]-D-glucitol
- Molecular formula
- C17H25NO7
- Molecular weight
- 355.38
Names & synonyms
Emiglitate80879-63-6BAY o 1248EmiglitatoBay-o-1248EmiglitatumDTXSID2048799PF8AB2IBUMDTXCID2028725Ethyl p-(2-((2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidino)ethoxy)benzoateBAY-o 1248RefChem:920927
Show more names
MKC-5421,5-dideoxy-1,5-[[2-[4-(ethoxycarbonyl)phenoxy]ethyl]imino]-D-glucitol1,5-dideoxy-1,5-[[2-[4-(ethoxycarbonyl)phenoxy]ethyl]imino]-D-glucitol USP/EP/BP4-[2-[(2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(hydroxymethyl)piperidino]ethoxy]benzoic acid ethyl esterBenzoic acid, 4-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy]-, ethyl ester
N-(beta-(4-ethoxycarbonyl)phenoxy)ethyl-1-desoxynojirimycinN-(beta-(4-ethoxycarbonyl)phenoxy)ethyl-1-desoxy-nojirimycin279-613-2ethyl 4-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzoateEthyl 4-(2-((2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl)ethoxy)benzoateethyl 4-{2-[(2r,3r,4r,5s)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy}benzoateNCGC00183836-01Emiglitatum [Latin]
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 580.2 · 580.2±50.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 13.68 · 13.68±0.70(Predicted)
- color
- White to off-white
- FDA UNII
- 8 AB2IBUM · PF8AB2IBUM
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Applications
DescriptionEmiglitate (BAY O 1248), another deoxynojirimycin analogue is characterized by at least five-fold higher inhibitory potency than acarbose and additionally shows a long-lasting inhibitory effect. In animal studies emiglitate was still active up to 17 h after a single oral administration due to its pharmacokinetic behavior (formation of an active metabolite). Both miglitol and emiglitate differ in their pharmacokinetic behavior from acarbose, which is poorly absorbed (1 – 2 %). The deoxynojirimycin derivatives are structurally related to monosaccharides and will be absorbed in the jejunum.
UsesEmiglitate (BAY o 1248) is a potent, selective and competitive inhibitor of α-glucoside hydrolase.
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
湖北玖天生物医药科技有限公司
Related reactions
0 records
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Compound notes
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