Home Fluorides 190448-57-8
190448-57-8,MFCD08063721
Catalog No.:AA002EI5

190448-57-8 | β-D-Glucopyranosiduronic acid, 4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenyl

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Purity
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1mg
98%
in stock  
$552.00   $387.00
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5mg
98%
in stock  
$1,631.00   $1,142.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002EI5
Chemical Name:
β-D-Glucopyranosiduronic acid, 4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenyl
CAS Number:
190448-57-8
Molecular Formula:
C30H29F2NO9
Molecular Weight:
585.5494
MDL Number:
MFCD08063721
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2[C@@H](CC[C@@H](c3ccc(cc3)F)O)C(=O)N2c2ccc(cc2)F)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Properties
 
Form:
Solid  
MP:
137-140°C  
Storage:
-20 ℃;Keep in dry area;  

Computed Properties
 
Complexity:
921  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
9  
XLogP3:
2.4  

Literature

Title: Molecular mechanism of altered ezetimibe disposition in nonalcoholic steatohepatitis.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120301

Title: Substituted oxazolidinones as novel NPC1L1 ligands for the inhibition of cholesterol absorption.

Journal: Bioorganic & medicinal chemistry letters 20080115

Title: Disposition of the selective cholesterol absorption inhibitor ezetimibe in healthy male subjects.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20020401

Title: Synthesis of fluorescent biochemical tools related to the 2-azetidinone class of cholesterol absorption inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20020211

Title: Stolk MF, et al. Severe hepatic side effects of ezetimibe. Clin Gastroenterol Hepatol. 2006 Jul;4(7):908-11.

Title: Lee DH, et al. Ezetimibe, an NPC1L1 inhibitor, is a potent Nrf2 activator that protects mice from diet-induced nonalcoholic steatohepatitis. Free Radic Biol Med. 2016 Sep 12;99:520-532.

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Tags:190448-57-8 Molecular Formula|190448-57-8 MDL|190448-57-8 SMILES|190448-57-8 β-D-Glucopyranosiduronic acid, 4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenyl