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Home Other Building Blocks 1627607-87-7
1627607-87-7,MFCD28133380
Catalog No.:AA00AQ9L

1627607-87-7 | PFI-2 hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$34.00   $24.00
- +
5mg
98+%
in stock  
$84.00   $59.00
- +
10mg
98+%
in stock  
$152.00   $107.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00AQ9L
Chemical Name:
PFI-2 hydrochloride
CAS Number:
1627607-87-7
Molecular Formula:
C23H26ClF4N3O3S
Molecular Weight:
535.9825
MDL Number:
MFCD28133380
SMILES:
O=C([C@H](NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)Cc1cccc(c1)C(F)(F)F)N1CCCC1.Cl
Properties
Computed Properties
 
Complexity:
813  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
6  

Literature

Title: Yuzhen Niu, et al. Revealing inhibition difference between PFI-2 enantiomers against SETD7 by molecular dynamics simulations, binding free energy calculations and unbinding pathway analysis. Sci Rep. 2017 Apr 18;7:46547.

Title: Benquan Liu, et al. Pharmacological inhibition of SETD7 by PFI-2 attenuates renal fibrosis following folic acid and obstruction injury. Eur J Pharmacol. 2021 Jun 15;901:174097.

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SDS
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Tags:1627607-87-7 Molecular Formula|1627607-87-7 MDL|1627607-87-7 SMILES|1627607-87-7 PFI-2 hydrochloride