Products for Research Use Only
RegisterLogin

Relebactam

CAT: 1568-C06983-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C06983-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1174018-99-5
Synonyms
MK-7655
SKU
C06983-5mg
Target
β-lactamase
Applications
Microbiology
Smiles
C1CC (N2CC1N (C2=O) OS (=O) (=O) O) C (=O) NC3CCNCC3
Molecular Formula
C12H20N4O6S
Additionnal Information
Relebactam (MK-7655) is a potent inhibitor against KPC-2, class A and class C (AmpC) β-lactamases.
Storage Conditions
3 years -20°C powder

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 Number1174018-99-5
PubChem CID44129647
IUPAC Name[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular FormulaC12H20N4O6S
Molecular Weight348.38
XLogP-3.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity585
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
2D structure of Relebactam
CAS: 1174018-99-5
CID: 44129647
Formula: C12H20N4O6S
MW: 348.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.38
XLogP3-3.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass348.11035554
Monoisotopic Mass348.11035554
Topological Polar Surface Area137 Ų
Heavy Atom Count23
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1219-100Relebactam

Popular Products