Avibactam sodium (NXL-104) hydrate is a covalent, reversible, non-β-lactam β-lactamase inhibitor (β-lactamase) inhibitor that can suppress β-lactamase TEM-1 and CTX-M-15 , IC50 are 8 nM and 5 nM respectively.

Physicochemical Properties

Molecular Formula	C7H12N3NAO7S
Molecular Weight	305.240851402283
Exact Mass	305.029
CAS #	2938989-90-1
Related CAS #	Avibactam free acid;1192500-31-4;Avibactam sodium;1192491-61-4;Avibactam sodium dihydrate
PubChem CID	118704750
Appearance	White to off-white solid powder
LogP	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	19
Complexity	462
Defined Atom Stereocenter Count	2
SMILES	C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.O.[Na+]
InChi Key	QTECZIOYYRSGNA-CIFXRNLBSA-M
InChi Code	InChI=1S/C7H11N3O6S.Na.H2O/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);;1H2/q;+1;/p-1/t4-,5+;;/m1../s1
Chemical Name	sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate;hydrate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 5 nM (CTX-M-15), 8 nM (TEM-1)[1]
ln Vitro	Avibactam is a compound with minimal antibacterial action that inhibits Acinetobacter OXA carbapenemases and class A and C β-lactamases, but not metallo types[2]. With MIC50 and MIC90 for both 8 mg/L, ceftazidime (HY-B0593)-avibactam (0-256 mg/L) suppresses the growth of 16 blaKPC -2 positive and 1 blaOXA-232 positive Klebsiella pneumonia[4].
ln Vivo	Ceftazidime-Avibactam (0.375 mg/g; sc; q8h for 10 days) significantly affects the bacteria and has been shown to have some therapeutic activity in an infected animal model with K. pneumoniae strain Y8[3]. In neutropenic mice infected with Pseudomonas aeruginosa and suffering from lung infection, avibactam (64 mg/kg; sc; once) has a mean estimated half-life in plasma in the terminal phase of 0.24 h[3].
Animal Protocol	Animal/Disease Models: Sixweeks old balb/c (Bagg ALBino) mouse: (female), K. pneumoniae strain Y8 infection model[4] Doses: 0.375 mg/g in combination with Ceftazidime Route of Administration: subcutaneous (sc)injection, 4 h post infection and given every 8 h for 10 days Experimental Results: 70% of infection group mice died within 4 days, and all mice in the PBS group died within 13 days. All treatment group mice survived at 10 days post infection with the antibiotic applied every 8 h, whereas 100% of mice in this group died within 4 days after the antibiotic treatment stopped. The spleen and liver of treatment group mice demonstrated lower CFU counts, as compared with that of infected group.
References	[1]. Avibactam is a covalent, reversible, non-β-lactam β-lactamase inhibitor. Proc Natl Acad Sci U S A. 2012 Jul 17;109(29):11663-8. [2]. Characterization of β-lactamase and porin mutants of Enterobacteriaceae selected with ceftaroline + avibactam (NXL104). J Antimicrob Chemother. 2012 Jun;67(6):1354-8. [3]. Pharmacokinetics and penetration of GR20263 and avibactam into epithelial lining fluid in thigh- and lung-infected mice. Antimicrob Agents Chemother. 2015 Apr;59(4):2299-304. [4]. In vitro and in vivo bactericidal activity of ceftazidime-avibactam against Carbapenemase-producing Klebsiella pneumoniae. Antimicrob Resist Infect Control. 2018 Nov 21;7:142.

Solubility Data

Solubility (In Vitro)	H2O : ≥ 200 mg/mL (655.22 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 25 mg/mL (81.90 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.2761 mL	16.3806 mL	32.7611 mL
	5 mM	0.6552 mL	3.2761 mL	6.5522 mL
	10 mM	0.3276 mL	1.6381 mL	3.2761 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.