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Ledaborbactam

CAT: 0804-HY-132823-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132823-02Size:10 mg
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Description
Iedaborbactam (VNRX-5236), as a β-lactamase inhibitor (WO2015191907, Example 62), can be used for the research of bacterial infections[1].
CAS Number
1842397-36-7
Product Name Alternative
VNRX-5236
UNSPSC
12352005
Target
Bacterial; Beta-lactamase
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ledaborbactam.html
Purity
99.12
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OC(C1=C2C(C[C@@H](B(O2)O)NC(CC)=O)=CC=C1)=O
Molecular Formula
C12H14BNO5
Molecular Weight
263.05
References & Citations
[1]WO2015191907
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Ledaborbactam

Ledaborbactam is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Ledaborbactam is a ẞ-lactamase inhibitor. Ledaborbactam has a monoisotopic molecular weight of 263.1 Da.

CAS Number1842397-36-7
PubChem CID138455079
IUPAC Name(3R)-2-hydroxy-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Molecular FormulaC12H14BNO5
Molecular Weight263.06
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity364
SMILES
B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC)O
InChI
InChI=1S/C12H14BNO5/c1-2-10(15)14-9-6-7-4-3-5-8(12(16)17)11(7)19-13(9)18/h3-5,9,18H,2,6H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKey
QAGGLFCWUVSERJ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Ledaborbactam
CAS: 1842397-36-7
CID: 138455079
Formula: C12H14BNO5
MW: 263.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.06
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass263.0965027
Monoisotopic Mass263.0965027
Topological Polar Surface Area95.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T39288Ledaborbactam etzadroxil

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