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MedKoo Cat#: 465710 | Name: Xeruborbactam sodium

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 sodium
Xeruborbactam sodium
CAS#Xeruborbactam sodium

Theoretical Analysis

MedKoo Cat#: 465710

Name: Xeruborbactam sodium

CAS#: Xeruborbactam sodium

Chemical Formula: C10H6BFNa2O4

Exact Mass: 222.0500

Molecular Weight: 265.94

Elemental Analysis: C, 45.16; H, 2.27; B, 4.06; F, 7.14; Na, 17.29; O, 24.06

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; Xeruborbactam sodium;
IUPAC/Chemical Name
sodium (1aR,7bS)-5-fluoro-2-oxido-1,1a,2,7b-tetrahydrobenzo[e]cyclopropa[c][1,2]oxaborinine-4-carboxylate
InChi Key
UXNIVAIENDVGJK-BNTLRKBRSA-M
InChi Code
InChI=1S/C10H7BFO4.2Na/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14;;/h1-2,5-6H,3H2,(H,13,14);;/q-1;2*+1/p-1/t5-,6-;;/m1../s1
SMILES Code
O=C(O[Na])C(C(O1)=C2[C@@H]3[C@@H](C3)B1O[Na])=C(C=C2)F
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 265.94 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: Reddy KR, Parkinson J, Sabet M, Tarazi Z, Boyer SH, Lomovskaya O, Griffith DC, Hecker SJ, Dudley MN. Selection of QPX7831, an Orally Bioavailable Prodrug of Boronic Acid β-Lactamase Inhibitor QPX7728. J Med Chem. 2021 Nov 24. doi: 10.1021/acs.jmedchem.1c01722. Epub ahead of print. PMID: 34817182. 2: Lence E, González-Bello C. Molecular Basis of Bicyclic Boronate β-Lactamase Inhibitors of Ultrabroad Efficacy - Insights From Molecular Dynamics Simulation Studies. Front Microbiol. 2021 Aug 4;12:721826. doi: 10.3389/fmicb.2021.721826. PMID: 34421880; PMCID: PMC8371488. 3: Veeraraghavan B, Bakthavatchalam YD, Sahni RD. Oral Antibiotics in Clinical Development for Community-Acquired Urinary Tract Infections. Infect Dis Ther. 2021 Dec;10(4):1815-1835. doi: 10.1007/s40121-021-00509-4. Epub 2021 Aug 6. PMID: 34357517; PMCID: PMC8572892. 4: Lomovskaya O, Tsivkovski R, Sun D, Reddy R, Totrov M, Hecker S, Griffith D, Loutit J, Dudley M. QPX7728, An Ultra-Broad-Spectrum B-Lactamase Inhibitor for Intravenous and Oral Therapy: Overview of Biochemical and Microbiological Characteristics. Front Microbiol. 2021 Jul 5;12:697180. doi: 10.3389/fmicb.2021.697180. PMID: 34290688; PMCID: PMC8287861. 5: Lomovskaya O, Rubio-Aparicio D, Nelson K, Sun D, Tsivkovski R, Castanheira M, Lindley J, Loutit J, Dudley M. In Vitro Activity of the Ultrabroad- Spectrum Beta-Lactamase Inhibitor QPX7728 in Combination with Multiple Beta- Lactam Antibiotics against Pseudomonas aeruginosa. Antimicrob Agents Chemother. 2021 May 18;65(6):e00210-21. doi: 10.1128/AAC.00210-21. PMID: 33782010; PMCID: PMC8315991. 6: Nelson K, Rubio-Aparicio D, Tsivkovski R, Sun D, Totrov M, Dudley M, Lomovskaya O. In Vitro Activity of the Ultra-Broad-Spectrum Beta- Lactamase Inhibitor QPX7728 in Combination with Meropenem against Clinical Isolates of Carbapenem-Resistant Acinetobacter baumannii. Antimicrob Agents Chemother. 2020 Oct 20;64(11):e01406-20. doi: 10.1128/AAC.01406-20. PMID: 32868334; PMCID: PMC7577151. 7: Sabet M, Tarazi Z, Griffith DC. In Vivo Activity of QPX7728, an Ultrabroad-Spectrum Beta-Lactamase Inhibitor, in Combination with Beta-Lactams against Carbapenem-Resistant Klebsiella pneumoniae. Antimicrob Agents Chemother. 2020 Oct 20;64(11):e01267-20. doi: 10.1128/AAC.01267-20. PMID: 32839224; PMCID: PMC7577155. 8: Nelson K, Rubio-Aparicio D, Sun D, Dudley M, Lomovskaya O. In Vitro Activity of the Ultrabroad-Spectrum-Beta-Lactamase Inhibitor QPX7728 against Carbapenem-Resistant Enterobacterales with Varying Intrinsic and Acquired Resistance Mechanisms. Antimicrob Agents Chemother. 2020 Jul 22;64(8):e00757-20. doi: 10.1128/AAC.00757-20. PMID: 32482673; PMCID: PMC7526838. 9: Stewart AG, Harris PNA, Henderson A, Schembri MA, Paterson DL. Oral cephalosporin and β-lactamase inhibitor combinations for ESBL-producing Enterobacteriaceae urinary tract infections. J Antimicrob Chemother. 2020 Sep 1;75(9):2384-2393. doi: 10.1093/jac/dkaa183. Erratum in: J Antimicrob Chemother. 2021 Jan 1;76(1):281. PMID: 32443141. 10: Lomovskaya O, Nelson K, Rubio-Aparicio D, Tsivkovski R, Sun D, Dudley MN. Impact of Intrinsic Resistance Mechanisms on Potency of QPX7728, a New Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta- Lactamases in Enterobacteriaceae, Pseudomonas aeruginosa, and Acinetobacter baumannii. Antimicrob Agents Chemother. 2020 May 21;64(6):e00552-20. doi: 10.1128/AAC.00552-20. PMID: 32229498; PMCID: PMC7269478. 11: Lomovskaya O, Tsivkovski R, Nelson K, Rubio-Aparicio D, Sun D, Totrov M, Dudley MN. Spectrum of Beta-Lactamase Inhibition by the Cyclic Boronate QPX7728, an Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta- Lactamases: Enhancement of Activity of Multiple Antibiotics against Isogenic Strains Expressing Single Beta-Lactamases. Antimicrob Agents Chemother. 2020 May 21;64(6):e00212-20. doi: 10.1128/AAC.00212-20. PMID: 32229489; PMCID: PMC7269471. 12: Tsivkovski R, Totrov M, Lomovskaya O. Biochemical Characterization of QPX7728, a New Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta-Lactamases. Antimicrob Agents Chemother. 2020 May 21;64(6):e00130-20. doi: 10.1128/AAC.00130-20. PMID: 32152086; PMCID: PMC7269513. 13: 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 Jul 23;63(14):7491-7507. doi: 10.1021/acs.jmedchem.9b01976. Epub 2020 Apr 2. PMID: 32150407.