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Xeruborbactam

CAT: 0013-GTR19205033-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205033-03Size:100 mg
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Description
QPX7728 is a boronic acid-based, ultra-broad-spectrum beta-lactamase inhibitor. It is utilized in research to combat antimicrobial resistance, showing potent activity against serine beta-lactamases in both in vitro enzymatic assays and in vivo infection models.
CAS Number
2170834-63-4
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) C1=C2C ([C@@]3 ([C@@] (C3) (B (O) O2) [H]) [H]) =CC=C1F
Molecular Formula
C10H8BFO4
Molecular Weight
221.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Qpx7728

Xeruborbactam is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Xeruborbactam is a ẞ-lactamase inhibitor. Xeruborbactam is under investigation in clinical trial NCT07104162 (A Study to Investigate Safety and Pharmacokinetics of Intravenous Cefiderocol/Xeruborbactam in Participants With Renal Impairment). Xeruborbactam has a monoisotopic molecular weight of 222.05 Da.

CAS Number2170834-63-4
PubChem CID140830474
IUPAC Name(1aR,7bS)-5-fluoro-2-hydroxy-1a,7b-dihydro-1H-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Molecular FormulaC10H8BFO4
Molecular Weight221.98
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity326
SMILES
B1([C@@H]2C[C@@H]2C3=C(O1)C(=C(C=C3)F)C(=O)O)O
InChI
InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1
InChIKey
KOHUFVUIYUCFNG-PHDIDXHHSA-N
Chemical Structure
2D Structure
2D structure of Qpx7728
CAS: 2170834-63-4
CID: 140830474
Formula: C10H8BFO4
MW: 221.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.98
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass222.0499671
Monoisotopic Mass222.0499671
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity326
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
HY-136069Xeruborbactam
HY-136072-01Xeruborbactam (disodium)
HY-172243Xeruborbactam isoboxil
T85340L-01(rac) -Xeruborbactam ammonium
BUP20362-01(1R,2S) -Xeruborbactam disodium
HY-136072A-01(1R,2S) -Xeruborbactam (disodium)
HY-136070Xeruborbactam bis-acetoxy methyl ester
HY-136071Xeruborbactam methoxy acetoxy methy ester
T85340-01(rac) -Xeruborbactam (2170834-63-4 Free base)

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