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PAD2-IN-2

Names

[ CAS No. ]:
2095107-57-4

[ Name ]:
PAD2-IN-2

[Synonym ]:
N-[(1S)-4-{[(1Z)-2-Fluoroethanimidoyl]amino}-1-(4-methoxy-1-methyl-1H-benzimidazol-2-yl)butyl]-3-oxo-4-isoindolinecarboxamide
CAY10723
1H-Isoindole-4-carboxamide, N-[(1S)-4-[[(1Z)-2-fluoro-1-iminoethyl]amino]-1-(4-methoxy-1-methyl-1H-benzimidazol-2-yl)butyl]-2,3-dihydro-3-oxo-

Biological Activity

[Description]:

PAD2-IN-2 is a potent PAD2 inhibitor. PAD2-IN-2 enters the HEK293T/PAD2 cells with an EC50 of 5.9 μM. PAD2-IN-2 inhibits histone H3 citrullination with an EC50 of 2.1 μM in HEK293/PAD2 cells. PAD2-IN-2 can be used for the research of cancer[1].

[Related Catalog]:

Research Areas >> Cancer
Research Areas >> Infection
Signaling Pathways >> Epigenetics >> Protein Arginine Deiminase

[Target]

PAD2


[In Vitro]

PAD2-IN-2 (compound 37a; 25 μM; HEK293T/PAD2 cells) exhibits good potency with >60% occupancy in target engagement assay[1]. PAD2-IN-2 (0, 1, 5, 10, 25μM ; 72 h) enters the HEK293T/PAD2 cells with an EC50 of 5.9 μM[1]. PAD2-IN-2 (0, 1, 5, 10, 25μM, 3 h) inhibits histone H3 citrullination with an EC50 of 2.1 μM in HEK293/PAD2 cells[1].

[In Vivo]

PAD2-IN-2 (AMF30a) protects K. pneumonia pneumonia mice from Imipenem-induced mortality increase[2].

[References]

[1]. Muth A, et al. Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J Med Chem. 2017 Apr 13;60(7):3198-3211.

[2]. Ye C, et al. Inappropriate use of antibiotics exacerbates inflammation through OMV-induced pyroptosis in MDR Klebsiella pneumoniae infection. Cell Rep. 2021 Sep 21;36(12):109750.

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Molecular Formula ]:
C24H27FN6O3

[ Molecular Weight ]:
466.508

[ Exact Mass ]:
466.212860

[ LogP ]:
0.58

[ Index of Refraction ]:
1.665

Related Compounds