AFM-30a

AFM-30a
Identifiers
	IUPAC name N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(1-methylbenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide;
CAS Number	2095107-57-4;
PubChem CID	134580863;
ChemSpider	90657150;
ChEMBL	ChEMBL4216256;
Chemical and physical data
Formula	C23H25FN6O2
Molar mass	436.491 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CN1C2=CC=CC=C2N=C1[C@H](CCCN=C(CF)N)NC(=O)C3=CC=CC4=C3C(=O)NC4;
	InChI InChI=1S/C23H25FN6O2/c1-30-18-10-3-2-8-16(18)28-21(30)17(9-5-11-26-19(25)12-24)29-22(31)15-7-4-6-14-13-27-23(32)20(14)15/h2-4,6-8,10,17H,5,9,11-13H2,1H3,(H2,25,26)(H,27,32)(H,29,31)/t17-/m0/s1; Key:CHPVRACBRZIQQU-KRWDZBQOSA-N;

AFM-30a is an experimental drug which was the first selective inhibitor to be developed of the enzyme peptidylarginine deiminase 2 (PAD2). It has been used to investigate the role of PAD2 in various inflammatory conditions and development of cancers. It was found to be active against pulmonary fibrosis in a mouse model.^[1]^[2]^[3]^[4]^[5]

References

↑ Muth A, Subramanian V, Beaumont E, Nagar M, Kerry P, McEwan P, et al. (April 2017). "Development of a Selective Inhibitor of Protein Arginine Deiminase 2". Journal of Medicinal Chemistry. 60 (7): 3198–3211. doi:10.1021/acs.jmedchem.7b00274. PMC 5477668. PMID 28328217.
↑ Martín Monreal MT, Rebak AS, Massarenti L, Mondal S, Šenolt L, Ødum N, et al. (2021). "Applicability of Small-Molecule Inhibitors in the Study of Peptidyl Arginine Deiminase 2 (PAD2) and PAD4". Frontiers in Immunology. 12 716250. doi:10.3389/fimmu.2021.716250. PMC 8560728. PMID 34737738.
↑ Mansouri P, Mansouri P, Behmard E, Najafipour S, Kouhpayeh SA, Farjadfar A (October 2024). "Peptidylarginine deiminase (PAD): A promising target for chronic diseases treatment". International Journal of Biological Macromolecules. 278 (Pt 3) 134576. doi:10.1016/j.ijbiomac.2024.134576. PMID 39127273.
↑ Baird R, Yusuf A, Forde L, Pohl K, Kavanagh K, Fitzpatrick F, et al. (2024). "The vacuolar anti-Pseudomonal activity of neutrophil primary granule peptidyl-arginine deiminase enzymes". Frontiers in Immunology. 15 1452393. doi:10.3389/fimmu.2024.1452393. PMC 11527647. PMID 39493757.
↑ Zhang YM, Jin FY, Gao XM, Xu H, Zhu Y, Mao N (January 2025). "[The effects and mechanisms of PAD2 inhibitor AFM-30a attenuates pulmonary fibrosis in silicotic mice]". Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi = Zhonghua Laodong Weisheng Zhiyebing Zazhi = Chinese Journal of Industrial Hygiene and Occupational Diseases. 43 (1): 1–13. doi:10.3760/cma.j.cn121094-20240102-00001. PMID 39909591.

[1] Muth A, Subramanian V, Beaumont E, Nagar M, Kerry P, McEwan P, et al. (April 2017). "Development of a Selective Inhibitor of Protein Arginine Deiminase 2". Journal of Medicinal Chemistry. 60 (7): 3198–3211. doi:10.1021/acs.jmedchem.7b00274. PMC 5477668. PMID 28328217.

[2] Martín Monreal MT, Rebak AS, Massarenti L, Mondal S, Šenolt L, Ødum N, et al. (2021). "Applicability of Small-Molecule Inhibitors in the Study of Peptidyl Arginine Deiminase 2 (PAD2) and PAD4". Frontiers in Immunology. 12 716250. doi:10.3389/fimmu.2021.716250. PMC 8560728. PMID 34737738.

[3] Mansouri P, Mansouri P, Behmard E, Najafipour S, Kouhpayeh SA, Farjadfar A (October 2024). "Peptidylarginine deiminase (PAD): A promising target for chronic diseases treatment". International Journal of Biological Macromolecules. 278 (Pt 3) 134576. doi:10.1016/j.ijbiomac.2024.134576. PMID 39127273.

[4] Baird R, Yusuf A, Forde L, Pohl K, Kavanagh K, Fitzpatrick F, et al. (2024). "The vacuolar anti-Pseudomonal activity of neutrophil primary granule peptidyl-arginine deiminase enzymes". Frontiers in Immunology. 15 1452393. doi:10.3389/fimmu.2024.1452393. PMC 11527647. PMID 39493757.

[5] Zhang YM, Jin FY, Gao XM, Xu H, Zhu Y, Mao N (January 2025). "[The effects and mechanisms of PAD2 inhibitor AFM-30a attenuates pulmonary fibrosis in silicotic mice]". Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi = Zhonghua Laodong Weisheng Zhiyebing Zazhi = Chinese Journal of Industrial Hygiene and Occupational Diseases. 43 (1): 1–13. doi:10.3760/cma.j.cn121094-20240102-00001. PMID 39909591.

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AFM-30a

See also

References