Etzadroxil (Ethyl 2-Ethylbutyrate) is a volatile ester compound. Sulopenem Etzadroxil is an oral ester precursor form of Sulopenem, an antibiotic with broad spectrum activity against Gram-positive (Gram+) and Gram-negative (Gram+) bacteria.

Physicochemical Properties

Molecular Formula	C8H16O2
Molecular Weight	144.21
Exact Mass	144.115
CAS #	2983-38-2
PubChem CID	76326
Appearance	Colorless to light yellow liquid（Density：0.864 g/cm3）
Density	0.876g/cm3
Boiling Point	152ºC
Melting Point	149-152ºC
Flash Point	46.7ºC
Vapour Pressure	2.91mmHg at 25°C
Index of Refraction	1.411
LogP	1.985
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Complexity	95.4
Defined Atom Stereocenter Count	0
SMILES	CCC(CC)C(=O)OCC
InChi Key	MJGSLNIPTRPYJV-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
Chemical Name	ethyl 2-ethylbutanoate
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
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

ln Vitro	Sulopenem is accessible as an oral ester prodrug called Sulopenem Etzadroxil. The ester bond is broken during oral sulopenem etzadroxil administration, yielding active sulopenem[2].
References	[1]. Roberto Rodríguez Madrera, et al. Determination of volatile compounds in cider spirits by gas chromatography with direct injection. J Chromatogr Sci. 2007 Aug;45(7):428-34. [2]. Ben Turner, et al. Interscience Conference on Antimicrobial Agents and Chemotherapy--49th annual meeting. Part 2. 12-15 September 2009, San Francisco, CA, USA. IDrugs. 2009 Nov;12(11):670-2.
Additional Infomation	Ethyl 2-ethylbutanoate is a fatty acid ester.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (693.43 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (17.34 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (17.34 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (17.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.9343 mL	34.6717 mL	69.3433 mL
	5 mM	1.3869 mL	6.9343 mL	13.8687 mL
	10 mM	0.6934 mL	3.4672 mL	6.9343 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.