Home Amines 1227163-84-9
1227163-84-9,MFCD25976574
Catalog No.:AA009CK3

1227163-84-9 | (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

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Purity
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1mg
≥98%
in stock  
$63.00   $44.00
- +
5mg
98%
in stock  
$121.00   $85.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA009CK3
Chemical Name:
(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CAS Number:
1227163-84-9
Molecular Formula:
C24H16F3N5
Molecular Weight:
431.4125
MDL Number:
MFCD25976574
SMILES:
FC(c1nccc(c1)[C@@]1(N=C(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F
Properties
Computed Properties
 
Complexity:
685  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.2  

Literature

Title: Sparve E et al. Prediction and modeling of effects on the QTc interval for clinical safety margin assessment, based on single-ascending-dose study data with AZD3839. J Pharmacol Exp Ther. 2014 Aug;350(2):469-78.

Title: Jeppsson F et al. Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease. J Biol Chem. 2012 Nov 30;287(49):41245-57.

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SDS
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Tags:1227163-84-9 Molecular Formula|1227163-84-9 MDL|1227163-84-9 SMILES|1227163-84-9 (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine