Pefloxacin Mesylate (also known as 1589 RB and Pefloxacinium) is a broad-spectrum and third generation of fluoroquinolone class of antibacterial agent which inhibits Topoisomerase II activity and DNA replication. Like many other quinolones, Pefloxacin mainly targets bacterial DNA gyrase (topoisomerase II) which is an essential bacterial enzyme with a variety of activities. Pefloxacin is a strongly bactericidal in a complex manner.

Physicochemical Properties

Molecular Formula	C17H20FN3O3.CH4O3S
Molecular Weight	429.46
Exact Mass	429.136
Elemental Analysis	C, 50.34; H, 5.63; F, 4.42; N, 9.78; O, 22.35; S, 7.47
CAS #	70458-95-6
Related CAS #	Pefloxacin;70458-92-3;Pefloxacin mesylate dihydrate;149676-40-4
PubChem CID	119525
Appearance	Solid powder
Density	1.32 g/cm3
Boiling Point	529.1ºC at 760 mmHg
Flash Point	273.8ºC
LogP	2.198
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	29
Complexity	638
Defined Atom Stereocenter Count	0
SMILES	O=C(C1=CN(CC)C2=C(C=C(F)C(N3CCN(C)CC3)=C2)C1=O)O.CS(=O)(O)=O
InChi Key	HQQSBEDKMRHYME-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
Chemical Name	3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-, mesylate
Synonyms	Pefloxacin; 1584RB; 1589 RB; EU 5306; EU-5306; Pefloxacin mesylate
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	Quinolone
References	[1]. Microbiol Mol Biol Rev. 1997 Sep;61(3):377-92. [2]. Antimicrob Agents Chemother. 1986 Jun;29(6):1073-8. [3]. Int J Antimicrob Agents.1991;1(1):29-46.
Additional Infomation	A synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria. See also: Pegfilgrastim (annotation moved to).

Solubility Data

Solubility (In Vitro)

H2O : ≥ 100 mg/mL (~232.85 mM) DMSO : ~12.5 mg/mL (~29.11 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.91 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 12.5 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: ≥ 1.25 mg/mL (2.91 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 12.5 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: ≥ 1.25 mg/mL (2.91 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 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 150 mg/mL (349.28 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3285 mL	11.6425 mL	23.2851 mL
	5 mM	0.4657 mL	2.3285 mL	4.6570 mL
	10 mM	0.2329 mL	1.1643 mL	2.3285 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.