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

Packsize	Purity	Availability	Price	Discounted Price
1mg	99%	in stock	$28.00	$19.00
5mg	99%	in stock	$66.00	$46.00
10mg	99%	in stock	$99.00	$69.00
50mg	99%	in stock	$282.00	$197.00
200mg	99%	in stock	$1,086.00	$760.00

Description

• Catalog Number: AB53308
• 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: 389.45031999999986
• MDL Number: MFCD22683851
• SMILES: OC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2

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

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

  Bioorganic & medicinal chemistry letters 20160201

• Inhibition of demethylases by GSK-J1/J4.

  Nature 20141002

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

  Nature 20120816

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

  Journal of proteome research 20100806

• A miniaturized screen for inhibitors of Jumonji histone demethylases.

  Molecular bioSystems 20100201