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Cat. No.: HY-152105

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Metallo-β-lactamase-IN-9

1 Cited Publications

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Based on 1 publication(s) in Google Scholar

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.

For research use only. We do not sell to patients.

CAS No.: 1802363-75-2
Formula: C₁₃H₁₂N₆O₃S
Molecular Weight:332.34

Storage:

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

Data Sheet (279 KB)

Metallo-β-lactamase-IN-9 Chemical Structure

CAS No.: 1802363-75-2

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- In Vivo
Chemical Information
Publications (1)
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
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Biological Activity

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]

All Beta-lactamase Isoforms :

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.

Chemical Information

CAS No. 1802363-75-2
Molecular Weight 332.34
Formula C₁₃H₁₂N₆O₃S
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.

Publications (1)

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Journal Impact Factor

Exp Brain Res

HDAC6 modulates the cognitive behavioral function and hippocampal tissue pathological changes of APP/PS1 transgenic mice through HSP90-HSF1 pathway. [Abstract]

2024 Aug;242(8):1983-1998. PMID: 38935089

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (279 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
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]

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Keywords

Metallo-β-lactamase-IN-9

1 Cited Publications

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Biological Activity
- Description
- IC₅₀ & Target
- In Vivo
Chemical Information
Publications (1)
Purity & Documentation
References

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Metallo-β-lactamase-IN-9

Publications Citing Use of MedChemExpress (MCE) Metallo-β-lactamase-IN-9

All Beta-lactamase Isoforms

Biological Activity

Chemical Information

Publications (1)

Purity & Documentation

References

Calculators

Help & FAQs

Metallo-β-lactamase-IN-9 Related Classifications

HY-152105 Related Classifications