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Zidebactam

CAT: 0931-T13395L-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13395L-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1436861-97-0
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9969
Bioactivity
Zidebactam (WCK-5107) is an effective β-lactamase inhibitor. Zidebactam also is a penicillin-binding protein2 inhibitor (IC50: 0.26 μg/mL) .
Smiles
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O
Molecular Formula
C13H21N5O7S
Molecular Weight
391.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zidebactam

Zidebactam is under investigation in clinical trial NCT02674347 (MAD Study to Evaluate the Safety, Tolerability and Pharmacokinetics of Intravenous Zidebactam in Healthy Adults).

CAS Number1436861-97-0
PubChem CID77846445
IUPAC Name[(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular FormulaC13H21N5O7S
Molecular Weight391.40
XLogP-4.2
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity693
SMILES
C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O
InChI
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
InChIKey
YCZPXRQPDCXTIO-BBBLOLIVSA-N
Chemical Structure
2D Structure
2D structure of Zidebactam
CAS: 1436861-97-0
CID: 77846445
Formula: C13H21N5O7S
MW: 391.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.40
XLogP3-4.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass391.11616920
Monoisotopic Mass391.11616920
Topological Polar Surface Area166 Ų
Heavy Atom Count26
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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