For research use only, not for therapeutic use.
Cl-amidine（Cat No.:I019933）is a potent and selective inhibitor of protein arginine deiminases (PADs), which convert arginine residues in proteins to citrulline, a process that plays a crucial role in various biological functions, including gene regulation and immune response. By inhibiting PADs, Cl-amidine disrupts citrullination, potentially influencing the development of autoimmune diseases and cancer. This compound has demonstrated efficacy in preclinical studies, showing its ability to modulate cellular signaling pathways and protein interactions. Cl-amidine’s unique mechanism of action positions it as a valuable tool for investigating PAD-related processes and developing targeted therapies.
| Catalog Number | I019933 |
| CAS Number | 913723-61-2 |
| Molecular Formula | C₁₄H₁₉ClN₄O₂ |
| Purity | ≥95% |
| IUPAC Name | N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide |
| InChI | InChI=1S/C14H19ClN4O2/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)/t11-/m0/s1 |
| InChIKey | BPWATVWOHQZVRP-NSHDSACASA-N |
| SMILES | C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)N |
| Reference | [1]. Yuan Luo, et al. Inhibitors and Inactivators of Protein Arginine Deiminase 4: Functional and Structural Characterization. Biochemistry. 2006 Oct 3; 45(39): 11727–11736.<br>[2]. Chumanevich AA, et al. Suppression of colitis in mice by Cl-amidine: a novel peptidylarginine deiminase inhibitor. Am J Physiol Gastrointest Liver Physiol. 2011 Jun;300(6):G929-38.<br>[3]. Witalison EE, et al. Molecular targeting of protein arginine deiminases to suppress colitis and prevent colon cancer. Oncotarget. 2015 Nov 3;6(34):36053-62.<br>[4]. Biron BM, et al., Cl-Amidine Prevents Histone 3 Citrullination and Neutrophil Extracellular Trap Formation, and Improves Survival in a Murine Sepsis Model. J Innate Immun. 2017;9(1):22-32.<br>[5]. Bryan Knuckley, et al. Substrate Specificity and Kinetic Studies of PADs 1, 3, and 4 Identify Potent and Selective Inhibitors of Protein Arginine Deiminase 3. Biochemistry. 2010 Jun 15;49(23):4852-63. |
