Metallo-β-lactamase-IN-9

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Metallo-β-lactamase-IN-9 (Compound 23) is a pan metallo-beta-lactamase (MBL) inhibitor with IC₅₀s of 35, 269 and 369 nM against NDM-1, VIM-1 and IMP-1, respectively.

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Metallo-β-lactamase-IN-9 Chemical Structure

CAS No. : 1802363-75-2

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Biological Activity
Purity & Documentation
References
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Description

Metallo-β-lactamase-IN-9 (Compound 23) is a pan metallo-beta-lactamase (MBL) inhibitor with IC₅₀s of 35, 269 and 369 nM against NDM-1, VIM-1 and IMP-1, respectively^[1].

IC₅₀ & Target

IC50: 35 nM (NDM-1), 269 nM (VIM-1), 369 nM (IMP-1)^[1]

In Vivo

Metallo-β-lactamase-IN-9 (Compound 23) (10 and 50 mg/kg; s.c.; three times a day for 1 day) reduces bacterial burden in both the spleen and kidney in combination with Imipenem (HY-B1369A) in a Klebsiella pneumoniae MB9249 infection mice model^[1].
Mouse Pharmacokinetic Properties of Metallo-β-lactamase-IN-9 (Compound 23)^d^[1]

dose^a(iv, mpk)	AUC (μM·h)	MRT (h)	V_dss (L/kg)	Cl (mL/min/kg)
5^a	27.08	5.2	2.97	9.33

dose (sc, mg/kg)	AUC (μM·h)	C_max (μM)	T_max (h)
10^b	27.42	13.4	0.83
50^c	111.28	69.1	0.5

^aFormulation, 1.0 mg/mL 23 in 20% DMSO/60% PEG400/20% water (solution) with dose volume of 5 mL/kg.
^bFormulation, 1.0 mg/mL of 23 in 30% captisol (solution) with dose volume 10 mL/kg.
^cFormulation, 5.0 mg/mL of 23 in 30% captisol (solution) with dose volume of 10 mL/kg.
^dAUC, area under the curve; Cl, clearance; iv, intravenous, MRT, mean residence time; V_dss, volume of distribution at steady state.

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Cytoxan-treated DBA-2 mice, Klebsiella pneumoniae MB9249 infection model^[1]
Dosage:	10 and 50 mg/kg, in combination with 5mg/kg Imipenem (HY-B1369A)
Administration:	Subcutaneous injection, three times a day for 1 day
Result:	Demonstrated reduction of bacterial burden in both the spleen and kidney to a greater extent while combining with Imipenem (HY-B1369A) relative to Imipenem (HY-B1369A) alone.

Animal Model:	C57BL/6 mice^[1]
Dosage:	Intravenous and subcutaneous injection
Administration:	5, 10 and 50 mg/kg (Pharmacokinetic Analysis)
Result:	Showed good pharmacokinetic properties.

Molecular Weight

332.34

Formula

C₁₃H₁₂N₆O₃S

CAS No.

1802363-75-2

SMILES

OCC1=CC=C(C=C1)C2=CC=NC(S(=O)(N)=O)=C2C3=NN=NN3

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Mandal M, et al. Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J Med Chem. 2022 Dec 22;65(24):16234-16251. [Content Brief]