Photoswitchable PAD Inhibitor (technical grade)

Photoswitchable PAD inhibitor is a photoactivated protein arginine deiminase (PAD) inhibitor and a derivative of BB-Cl-amidine (Cay-17079) that contains an azobenzene photoswitch allowing optical control of PAD activity. Without photoactivation, it is a weak inhibitor of PAD2 (IC50 = >100 µM) and is less potent than BB-Cl-amidine in inhibiting citrulline production in vitro (kinact/KIs = 2,300, 600, 1,000, and 10,510 M-1min-1 for PAD1-4, respectively) and does not inhibit histone H3 citrullination in HEK293T cells overexpressing PAD2 when used at concentrations up to 100 µM. 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 with an IC50 value of 9.1 µM.Formal Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4-(2-phenyldiazenyl)-benzamide. CAS Number: 2226393-62-8. Molecular Formula: C26H26ClN7O. Formula Weight: 488.0. Purity: >70% (mixture of isomers). Formulation: (Request formulation change), A crystalline solid. Solubility: Methanol: 30 mg/ml. SMILES: O=C(N[C@@H](CCCNC(CCl)=N)C1=NC2=C(C=CC=C2)N1)C(C=C3)=CC=C3/N=N/C4=CC=CC=C4. InChi Code: InChI=1S/C26H26ClN7O/c27-17-24(28)29-16-6-11-23(25-30-21-9-4-5-10-22(21)31-25)32-26(35)18-12-14-20(15-13-18)34-33-19-7-2-1-3-8-19/h1-5,7-10,12-15,23H,6,11,16-17H2,(H2,28,29)(H,30,31)(H,32,35)/b34-33+/t23-/m0/s1. InChi Key: ZTBNXZDZQAHEDC-HIUQNGLMSA-N.