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Home Other Building Blocks 1268244-88-7
1268244-88-7,MFCD31619230
Catalog No.:AA01EOD5

1268244-88-7 | (-)-PX20606 trans isomer

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>98.00%
3 weeks  
$859.00   $602.00
- +
2mg
>98.00%
3 weeks  
$1,190.00   $833.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01EOD5
Chemical Name:
(-)-PX20606 trans isomer
CAS Number:
1268244-88-7
Molecular Formula:
C29H22Cl3NO4
Molecular Weight:
554.8483
MDL Number:
MFCD31619230
SMILES:
C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5CC5C6=CC=C(C=C6)C(=O)O)Cl
Properties
Computed Properties
 
Complexity:
796  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
8  
XLogP3:
7.6  

Literature

Title: Synthetic farnesoid X receptor agonists induce high-density lipoprotein-mediated transhepatic cholesterol efflux in mice and monkeys and prevent atherosclerosis in cholesteryl ester transfer protein transgenic low-density lipoprotein receptor (-/-) mice.

Journal: The Journal of pharmacology and experimental therapeutics 20121201

Title: Kinzel O, et al. Novel substituted isoxazole FXR agonists with cyclopropyl, hydroxycyclobutyl and hydroxyazetidinyl linkers: Understanding and improving key determinants of pharmacological properties. Bioorg Med Chem Lett. 2016 Aug 1;26(15):3746-53.

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SDS
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Tags:1268244-88-7 Molecular Formula|1268244-88-7 MDL|1268244-88-7 SMILES|1268244-88-7 (-)-PX20606 trans isomer