BB-Cl-Amidine hydrochloride

• CAT Number: I046217
• CAS Number: 2436747-41-8
• Molecular Formula: C26H27Cl2N5O
• Molecular Weight: 496.43
• Purity: ≥95%
• Synonyms: N-[(1S)-4-[(1-amino-2-chloroethylidene)amino]-1-(1H-benzimidazol-2-yl)butyl]-4-phenylbenzamide;hydrochloride
• InChI: InChI=1S/C26H26ClN5O.ClH/c27-17-24(28)29-16-6-11-23(25-30-21-9-4-5-10-22(21)31-25)32-26(33)20-14-12-19(13-15-20)18-7-2-1-3-8-18;/h1-5,7-10,12-15,23H,6,11,16-17H2,(H2,28,29)(H,30,31)(H,32,33);1H/t23-;/m0./s1
• InChIKey: APVHRPHXTLAIRI-BQAIUKQQSA-N
• SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CCCN=C(CCl)N)C3=NC4=CC=CC=C4N3.Cl

BB-Cl-Amidine hydrochloride is a peptidylarginine deminase (PAD) inhibitor[1].
Treatment with BB-Cl-amidine subtly reduces splenomegaly in MRL/lpr mice, while there is a trend towards increased circulating levels of anti-NET antibodies with PAD inhibitor treatment. However, neither PAD inhibitor affected body weight or total IgG levels. Indeed, treatment with both Cl-amidine and BB-Cl-amidine significantly improves endothelium-dependent vasorelaxation. The BB-Cl-amidine group also shows a strong trend towards downregulation of IRGs. Treatment with either Cl-amidine or BB-Cl-amidine significantly improves muzzle alopecia, in many cases preventing it entirely[1].

Reference

[1]. Knight JS, et al. Peptidylarginine deiminase inhibition disrupts NET formation and protects against kidney, skin and vascular disease in lupus-prone MRL/lpr mice. Ann Rheum Dis. 2015 Dec;74(12):2199-206.
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