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((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetate

Basic information Safety Supplier Related

((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetate Basic information

Product Name:
((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetate
Synonyms:
  • Dapagliflozin Impurity L
  • Empagliflozin-4
  • Dapagliflozin impurity 12/ O-Desethyl Dapagliflozin/(3R,4R,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6- (hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • Daglitele Impurity 6
  • (2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • Empagliflozin impurity H
  • D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-, (1S)-
  • Jardiance Impurity H
CAS:
864070-37-1
MF:
C19H21ClO6
MW:
380.82
Mol File:
864070-37-1.mol
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((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetate Chemical Properties

Boiling point:
628.3±55.0 °C(Predicted)
Density 
1.459±0.06 g/cm3(Predicted)
storage temp. 
-20°C
solubility 
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
form 
A crystalline solid
pka
10.17±0.15(Predicted)
color 
White to off-white
Stability:
Hygroscopic
InChI
InChI=1/C19H21ClO6/c20-14-6-3-11(8-12(14)7-10-1-4-13(22)5-2-10)19-18(25)17(24)16(23)15(9-21)26-19/h1-6,8,15-19,21-25H,7,9H2/t15-,16-,17+,18-,19+/s3
InChIKey
ODQAIMBPQWETBE-YBDYQYBPNA-N
SMILES
O[C@@H]1[C@H]([C@H](O)[C@@H](CO)O[C@H]1C1C=CC(Cl)=C(CC2C=CC(O)=CC=2)C=1)O |&1:1,2,3,5,9,r|
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((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetate Usage And Synthesis

Uses

O-Desethyl Dapagliflozin is derivative of antidiabetic drug Dapagliflozin (D185370), which is sodium-glucose transporter 2 inhibitor.

IC 50

SGLT2: 33 nM (IC50)

((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-((S)-tetrahydrofuran-3-yloxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)Methyl acetateSupplier

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