Relebactam

CAT: 0013-GTR19170042-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19170042-07Size:100 mg

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Description

Relebactam (MK-7655) is a diazabicyclooctane β-lactamase inhibitor used in research to restore the efficacy of β-lactam antibiotics. It is applied in both in vitro and in vivo studies to combat multidrug-resistant bacterial infections, particularly those involving class A and C enzymes.

CAS Number

1174018-99-5

Product Name Alternative

Enterobacteriaceae, Inhibitor, inhibit, Imipenem, MK7655, MK-7655, MK 7655, antibacterial, Bacterial, P. aeruginosa, Relebactam, β-lactamase, β-lactamases

Field of Research

Infectious Disease & Virology, Pharmacology & Drug Discovery

Purity

97.38% (May vary between batches)

Solubility

H2O:50 mg/mL (143.52 mM) ; DMSO:50 mg/mL (143.52 mM)

Smiles

OS (=O) (=O) ON1[C@H]2CN ([C@@H] (CC2) C (=O) NC2CCNCC2) C1=O

Molecular Formula

C12H20N4O6S

Molecular Weight

348.38

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Relebactam

Relebactam is a diazabicyclooctane beta-lactamase inhibitor, similar in structure to [avibactam]. It includes a piperidine ring which reduces export from bacterial cells by producing a positive charge. It is currently available in a combination product which includes [imipenem] and [cilastatin] to treat complicated urinary tract infections (UTIs), pyelonephritis, and complicated intra-abdominal infections in adults. It is considered to be a last-line treatment option and gained FDA approval as part of the combination product RecarbrioⓇ in July 2019.

CAS Number	1174018-99-5
PubChem CID	44129647
IUPAC Name	[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular Formula	C12H20N4O6S
Molecular Weight	348.38
XLogP	-3.6
Topological Polar Surface Area	137
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	585

SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3

InChI

InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1

InChIKey

SMOBCLHAZXOKDQ-ZJUUUORDSA-N

Chemical Structure

2D Structure

CAS: 1174018-99-5

CID: 44129647

Formula: C12H20N4O6S

MW: 348.38

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	348.38
XLogP3	-3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	348.11035554
Monoisotopic Mass	348.11035554
Topological Polar Surface Area	137 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	585
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
R055-10MG	Relebactam

Relebactam

Chemical Information

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