Name: Name:N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alanine
Brand: Angene
SKU: AG003AG4
Rating: 90 (10 reviews)

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

CAS No.:

1373422-53-7

Catalog Number:

AG003AG4

Molecular Formula:

C22H23N5O2

Molecular Weight:

389.4503

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

10mg

99%

1 week

United States

$154

- +

25mg

99%

1 week

United States

$216

- +

50mg

99%

1 week

United States

$341

- +

100mg

99%

1 week

United States

$529

- +

Product Description

Catalog Number:

AG003AG4

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

IUPAC Name:

3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid

InChI:

InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)

InChI Key:

AVZCPICCWKMZDT-UHFFFAOYSA-N

SMILES:

OC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2

Properties

Complexity:

517

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.185g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.459g/mol

Monoisotopic Mass:

389.185g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
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

Properties