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2226393-62-8

2226393-62-8 structure
2226393-62-8 structure
  • Name: Photoswitchable PAD inhibitor
  • Chemical Name: N-{(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloroethanimidoyl)amino]butyl}-4-[(E)-phenyldiazenyl]benzamide
  • CAS Number: 2226393-62-8
  • Molecular Formula: C26H26ClN7O
  • Molecular Weight: 487.984
  • Create Date: 2021-01-09 20:09:43
  • Modify Date: 2024-02-04 19:34:52
  • Photoswitchable PAD inhibitor is a photoactivated protein arginine deiminase (PAD) inhibitor and a derivative of BB-Cl-amidine that contains an azobenzene photoswitch allowing optical control of PAD activity. Without photoactivation, it is a weak inhibitor of PAD2 and is less potent than BB-Cl-amidine in inhibiting citrulline production in vitro. It does not inhibit histone H3 citrullination in HEK293T cells overexpressing PAD2. However, it can rapidly be photoactivated with UV-A radiation to the more active cis-isomer, which is an irreversible, competitive inhibitor of histone H3 citrullination.

Name N-{(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloroethanimidoyl)amino]butyl}-4-[(E)-phenyldiazenyl]benzamide
Synonyms Benzamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4-[(E)-2-phenyldiazenyl]-
N-{(1S)-1-(1H-Benzimidazol-2-yl)-4-[(2-chloroethanimidoyl)amino]butyl}-4-[(E)-phenyldiazenyl]benzamide
Density 1.3±0.1 g/cm3
Molecular Formula C26H26ClN7O
Molecular Weight 487.984
Exact Mass 487.188751
LogP 4.19
Index of Refraction 1.672