Home Pyridines 1373422-53-7
1373422-53-7,MFCD22683851
Catalog No.:AA003ADC

1373422-53-7 | N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alanine

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Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$22.00   $15.00
- +
5mg
98%
in stock  
$52.00   $36.00
- +
10mg
98%
in stock  
$77.00   $54.00
- +
50mg
98%
in stock  
$220.00   $154.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003ADC
Chemical Name:
N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alanine
CAS Number:
1373422-53-7
Molecular Formula:
C22H23N5O2
Molecular Weight:
389.4503
MDL Number:
MFCD22683851
SMILES:
OC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2
Properties
Computed Properties
 
Complexity:
517  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
3.6  

Literature

Title: Design and discovery of new pyrimidine coupled nitrogen aromatic rings as chelating groups of JMJD3 inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20160201

Title: Inhibition of demethylases by GSK-J1/J4.

Journal: Nature 20141002

Title: A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.

Journal: Nature 20120816

Title: Small-molecule-based inhibition of histone demethylation in cells assessed by quantitative mass spectrometry.

Journal: Journal of proteome research 20100806

Title: A miniaturized screen for inhibitors of Jumonji histone demethylases.

Journal: Molecular bioSystems 20100201

Title: Kruidenier L, et al. A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response. Nature. 2012 Aug 16;488(7411):404-8.

Title: Heinemann B, et al. Inhibition of demethylases by GSK-J1/J4. Nature. 2014 Oct 2;514(7520):E1-2.

Title: Horton JR, et al. Characterization of a Linked Jumonji Domain of the KDM5/JARID1 Family of Histone H3 Lysine 4 Demethylases. J Biol Chem. 2016 Feb 5;291(6):2631-46.

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SDS
Tags:1373422-53-7 Molecular Formula|1373422-53-7 MDL|1373422-53-7 SMILES|1373422-53-7 N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alanine