Temafloxacin (TMFX) HCl is an orally bioactive quinolone broad spectrum (a wide range) anti-bacterial agent. Temafloxacin HCl is well tolerated in lower respiratory tract and genitourinary tract infections.

Physicochemical Properties

Molecular Formula	C21H19CLF3N3O3
Molecular Weight	453.8421
Exact Mass	453.106
CAS #	105784-61-0
Related CAS #	Temafloxacin;108319-06-8
PubChem CID	60020
Appearance	Typically exists as solid at room temperature
Boiling Point	608.9ºC at 760 mmHg
Flash Point	322.1ºC
Vapour Pressure	1.11E-15mmHg at 25°C
LogP	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	31
Complexity	721
Defined Atom Stereocenter Count	0
SMILES	Cl[H].FC1C([H])=C2C(C(C(=O)O[H])=C([H])N(C3C([H])=C([H])C(=C([H])C=3F)F)C2=C([H])C=1N1C([H])([H])C([H])([H])N([H])C([H])(C([H])([H])[H])C1([H])[H])=O
InChi Key	DDVJEYDLTXRYAJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H18F3N3O3.ClH/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23;/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30);1H
Chemical Name	1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
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	Against Gram-positive and Gram-negative bacteria, temafloxacin hydrochloride (0-64 µg/mL; 18–24 hours) exhibits strong antibacterial action, with MIC ranges of <0.004-0.5, 0.5-2, and 0.06-0.25 against E. coli µg/mL, Pseudomonas aeruginosa, and Staphylococcus aureus, respectively [1].
ln Vivo	In mice with pyelonephritis, temafloxacin hydrochloride (6.25, 25, 100 mg/kg; oral; single dose) exhibits good inhibitory activity [1]. With the exception of the central nervous system (CNS), temafloxacin hydrochloride (100 mg/kg; oral or subcutaneous; single dose) exhibits excellent tissue and body fluid permeability and concentration as well as quick gastrointestinal absorption [1].
Cell Assay	Cell Viability Assay[1] Cell Types: E. coli (16 strains), Pseudomonas aeruginosa (13 strains), and Staphylococcus aureus (17 strains) Tested Concentrations: 0-64 µg/mL Incubation Duration: 18-24 hrs (hours) Experimental Results: Inhibits Escherichia coli (16 strains), Pseudomonas aeruginosa and Staphylococcus aureus, MIC range <0.004-0.5 (MIC 90%=0.06, =0.06), 0.5-2 (MIC 90%=1, MIC 50% = 1) and 0.06-0.25 µg/mL (MIC 90%=0.125, MIC 50%=0.125). MIC 90% and 50% represent the MIC (unit: μg/mL) of 90% and 50% of the isolates.
Animal Protocol	Animal/Disease Models: Female CF-1 mice (20-25 grams) (mouse pyelonephritis model) [1]. Doses: 6.25, 25, 100 mg/kg Route of Administration: Oral; single. The Experimental Results:diminished numbers of viable bacteria in the mouse kidneys. Animal/Disease Models: Female CF-1 mice (20-25 grams) [1]. Doses: 100 mg/kg Route of Administration: subcutaneousor oral; single. Experimental Results: 1.19 pharmacokinetic/PK/PK parameters of temafloxacin hydrochloride in female CF-1 mice [1]. Cmax (μg/mL) AUC (μg/mL·h) T1/2 (h) % Urinary recovery SC (100 mg/kg) 25.2 86.6 3.4 25.3 PO (100 mg/kg) 13.5 57.4 1.3 9.1
References	[1]. Hardy DJ, et al. Comparative antibacterial activities of temafloxacin hydrochloride (A-62254) and two reference fluoroquinolones. Antimicrob Agents Chemother. 1987 Nov;31(11):1768-74. [2]. Pankey GA. Temafloxacin: an overview. Am J Med. 1991 Dec 30;91(6A):166S-172S.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.2034 mL	11.0171 mL	22.0342 mL
	5 mM	0.4407 mL	2.2034 mL	4.4068 mL
	10 mM	0.2203 mL	1.1017 mL	2.2034 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.