MedKoo Cat#: 593173 | Name: Xeruborbactam

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Xeruborbactam, also known as QPX7728, is an ultrabroad-spectrum inhibitor of serine and metallo-β-lactamases. This compound displays a remarkably broad spectrum of inhibition, including class B and class D enzymes, and is little affected by porin modifications and efflux. QPX7728 is a promising agent for use in combination with a β-lactam antibiotic for the treatment of a wide range of multidrug resistant Gram-negative bacterial infections, by both intravenous and oral administration.

Chemical Structure

Xeruborbactam
Xeruborbactam
CAS#2170834-63-4 (free acid)

Theoretical Analysis

MedKoo Cat#: 593173

Name: Xeruborbactam

CAS#: 2170834-63-4 (free acid)

Chemical Formula: C10H8BFO4

Exact Mass: 222.0500

Molecular Weight: 221.98

Elemental Analysis: C, 54.11; H, 3.63; B, 4.87; F, 8.56; O, 28.83

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
2170834-63-4 (free acid) 2170834-62-3 (1aS 7bR-isomer) Xeruborbactam sodium
Synonym
QPX7728; QPX-7728; QPX 7728; Xeruborbactam;
IUPAC/Chemical Name
Benzo[e]​cycloprop[c]​[1,​2]​oxaborin-​4-​carboxylic acid, 5-​fluoro-​1,​1a,​2,​7b-​tetrahydro-​2-​hydroxy-​, (1aR,​7bS)​-
InChi Key
KOHUFVUIYUCFNG-PHDIDXHHSA-N
InChi Code
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
SMILES Code
FC1=C(C(O)=O)C2=C([C@@H]3[C@@H](C3)B(O)O2)C=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 221.98 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Hecker SJ, Reddy KR, Lomovskaya O, Griffith DC, Rubio-Aparicio D, Nelson K, Tsivkovski R, Sun D, Sabet M, Tarazi Z, Parkinson J, Totrov M, Boyer SH, Glinka TW, Pemberton OA, Chen Y, Dudley MN. Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-β-lactamases. J Med Chem. 2020 Apr 2. doi: 10.1021/acs.jmedchem.9b01976. [Epub ahead of print] PubMed PMID: 32150407.