2226393-62-8
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
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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 |