D-Cl-amidine hydrochloride

• CAT Number: I045705
• CAS Number: 2985338-61-0
• Molecular Formula: C14H20Cl2N4O2
• Molecular Weight: 347.24
• Purity: ≥95%
• Synonyms: N-[(2R)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
• InChI: InChI=1S/C14H19ClN4O2.ClH/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21);1H/t11-;/m1./s1
• InChIKey: OPFMEGSAOZAJIV-RFVHGSKJSA-N
• SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(CCl)N)C(=O)N.Cl

D-Cl-amidine hydrochloride is a potent and highly selective PAD1 inhibitor. D-Cl-amidine is well-torelated with no significant toxicity[1].
D-Cl-amidine (200-400 μM) is effective in significantly decreasing cell viability in MDA-MB-231 cells[1].?
D-Cl-amidine increase caspase 3 activity, indicating that inhibition of PAD1 leads to an increase in apoptosis[1].
D-Cl-amidine, administered by iv at a dose of 2.5 mg/kg, is still detected after 2 h in serum at a concentration of ~21 nM and at 4 h at ~10 nM. D-Cl-amidine is still observed in the blood serum at a concentration of ～10 nM at 4 h when administered by ip at a dose of 10 mg/kg[1].

Reference

[1]. Bicker KL, et al. D-amino acid based protein arginine deiminase inhibitors: Synthesis, pharmacokinetics, and in cellulo efficacy. ACS Med Chem Lett. 2012 Oct 26;3(12):1081-1085.
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