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1452395-68-4

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1452395-68-4 Structure

1452395-68-4 Structure

Identification	Back Directory
[Name] MBL-IN-3
[CAS] 1452395-68-4
[Synonyms] MBL-IN-3
[Molecular Formula] C18H21N3O5
[MOL File] 1452395-68-4.mol
[Molecular Weight] 359.38

Chemical Properties	Back Directory
[Boiling point ] 663.7±65.0 °C(predicted)
[density ] 1.52±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka] 7.73±0.20(predicted)

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[Uses] MBL-IN-3 (compound 72922413) is a New Delhi metallo-β-lactamase-1 (NDM-1) inhibitor(IC50=54±4 μM). MBL-IN-3 is identified and shown to lower minimum inhibitory concentrations (MICs) of Meropenem (HY-13678) for a panel of E. coli and K. pneumoniae clinical isolates expressing NDM-1. MBL-IN-3 can be used for antibiotic sensitizer research[1].
[References] [1] Cheng Z, et al. Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase[J]. Journal of Chemical Information and Modeling, 2024. DOI:10.1021/acs.jcim.3c02015

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Company Name:	TargetMol Chemicals Inc.
Tel:	15002134094
Website:	https://www.targetmol.cn/

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