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

CAS Registry Number®

1394854-52-4

CAS Name

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

Molecular Formula

C22H23N5O2

Molecular Mass

389.45

Cite this Page

N-[2-(3-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1394854-52-4 (retrieved 2024-11-22) (CAS RN: 1394854-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=LJIFOCRGDDQFJF-UHFFFAOYSA-N

SMILES

N(CCC(O)=O)C1=CC(=NC(=N1)C=2C=CC=NC2)N3CCC=4C(CC3)=CC=CC4

Canonical SMILES

O=C(O)CCNC=1N=C(N=C(C1)N2CCC=3C=CC=CC3CC2)C4=CN=CC=C4

Other Names for this Substance

  • β-Alanine, N-[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-
  • N-[2-(3-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alanine
  • GSK J2
  • 3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-3-yl)pyrimidin-4-yl)amino)propanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration