Nemonoxacin Malate (TG-873870; TG873870; TG 873870), the maleate salt of nemonoxacin, is novel quinolone antibiotic with a broad-spectrum activity against strains such as Gram+, Gram- and atypical pathogens, including drug-resistant Streptococcus pneumoniae and methicillin-resistant Staphylococcus aureus.

Physicochemical Properties

Molecular Formula	C24H31N3O9
Molecular Weight	505.51764
Exact Mass	505.206
CAS #	951163-60-3
Related CAS #	Nemonoxacin;378746-64-6
PubChem CID	49863435
Appearance	White to off-white solid powder
LogP	1.888
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	36
Complexity	776
Defined Atom Stereocenter Count	2
SMILES	OC(CC(C(=O)O)O)=O.C[C@H]1C[C@H](N)CN(C2C=CC3=C(N(C4CC4)C=C(C3=O)C(=O)O)C=2OC)C1
InChi Key	YMVJINCWEIPOFL-FXMYHANSSA-N
InChi Code	InChI=1S/C20H25N3O4.C4H6O5/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26;5-2(4(8)9)1-3(6)7/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26);2,5H,1H2,(H,6,7)(H,8,9)/t11-,12-;/m0./s1
Chemical Name	7-((3S,5S)-3-amino-5-methylpiperidin-1-yl)-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid malate
Synonyms	TG-873870 TG873870 TG 873870 Nemonoxacin Malate
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

ln Vitro	Nemonoxacin exhibits antibacterial activity against Chlamydia pneumoniae, as evidenced by a MIC90 of 0.06 μg/mL [1]. While vancomycin MRSA (MIC90) has limited effectiveness at 2 μg/ml, nemofloxacin is extremely active against community-acquired MRSA (CA-MRSA) (MIC90: 0.5 and 0.06 μg/ml) and intermediate against ciprofloxacin-resistant MRSA (MIC90: 1 μg/ml) [2].
References	[1]. Chotikanatis K, et al. In vitro activity of nemonoxacin, a novel nonfluorinated quinolone antibiotic, against Chlamydia trachomatis and Chlamydia pneumoniae. Antimicrob Agents Chemother. 2014;58(3):1800-1. [2]. Lai CC, et al. Nemonoxacin (TG-873870) for treatment of community-acquired pneumonia. Expert Rev Anti Infect Ther. 2014 Apr;12(4):401-17.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~197.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.95 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 (4.95 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 (4.95 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	1.9782 mL	9.8908 mL	19.7816 mL
	5 mM	0.3956 mL	1.9782 mL	3.9563 mL
	10 mM	0.1978 mL	0.9891 mL	1.9782 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.