Mab Aspartate Decarboxylase-IN-1

• CAT Number: I043327
• CAS Number: 2755712-12-8
• Molecular Formula: C16H11N3O3
• Molecular Weight: 293.28
• Purity: ≥95%
• Synonyms: 3-(naphthalene-1-carbonylamino)pyrazine-2-carboxylic acid
• InChI: InChI=1S/C16H11N3O3/c20-15(19-14-13(16(21)22)17-8-9-18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,21,22)(H,18,19,20)
• InChIKey: LYCKJICKYNNXMU-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=NC=CN=C3C(=O)O

Mab Aspartate Decarboxylase-IN-1 is a potent aspartate decarboxylase (PanD) inhibitor with an IC50 value of 56.3 µM. Mab Aspartate Decarboxylase-IN-1 shows antibacterial activity[1].
Mab Aspartate Decarboxylase-IN-1 (compound analogue 2) shows inhibits against the mutants Mab PanDE119A, Mab PanDS135A and Mab PanDY126A mutants with the inhibition rates of 70.5%, 74.4%, 81.8%, respectively[1].
Mab Aspartate Decarboxylase-IN-1 (0-200 µM) shows inhibition on mycobacterium abscessus (Mab) PanD enzyme activity in the conversion of l-Asp to β-Ala with an IC50 value of 56.3±4.8 µM[1].
Mab Aspartate Decarboxylase-IN-1 (0-4 mM) shows antibacterial activity for M. abscessus subsp. abscessus ATCC 19977 with an IC50 value of 0.7mM, and M. abscessus subsp. bolletii CCUG 50184T, M. abscessus subsp. massiliense CCUG 48898T, M. abscessus subsp. abscessus Bamboo, M. abscessus subsp. abscessus ATCC 19977 with IC50s of 1-2 mM[1].
Mab Aspartate Decarboxylase-IN-1 shows mainly electrostatic- and hydrogen bonding interaction with the target enzyme[1].

Reference

[1]. Saw WG, et al. Structural and Mechanistic Insights into Mycobacterium abscessus Aspartate Decarboxylase PanD and a Pyrazinoic Acid-Derived Inhibitor. ACS Infect Dis. 2022 Jul 8;8(7):1324-1335.
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