FtsZ-IN-1 is a potent FtsZ inhibitor (antagonist) with a quinoline ring. FtsZ-IN-1 has strong anti-bacterial effect against Gram-positive (Gram+) bacteria, with MIC of 0.5 - 8 μg/mL. FtsZ-IN-1 significantly promotes cell elongation of Bacillus subtilis (B. subtilis) by enhancing FtsZ polymerization. FtsZ-IN-1 has low hemolytic toxicity and low tendency to induce drug resistance, and has activivty against drug-resistant bacteria.

Physicochemical Properties

Molecular Formula	C26H32IN3
Molecular Weight	513.46
Exact Mass	513.164
CAS #	2516246-24-3
PubChem CID	163322356
Appearance	Typically exists as solid at room temperature
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	30
Complexity	528
Defined Atom Stereocenter Count	0
SMILES	CC1CCN(CC1)C2=CC(=[N+](C3=CC=CC=C32)C)/C=C/C4=CC=C(C=C4)N(C)C.[I-]
InChi Key	QNSNMYHREQPTRX-UHFFFAOYSA-M
InChi Code	InChI=1S/C26H32N3.HI/c1-20-15-17-29(18-16-20)26-19-23(28(4)25-8-6-5-7-24(25)26)14-11-21-9-12-22(13-10-21)27(2)3;/h5-14,19-20H,15-18H2,1-4H3;1H/q+1;/p-1
Chemical Name	N,N-dimethyl-4-[(E)-2-[1-methyl-4-(4-methylpiperidin-1-yl)quinolin-1-ium-2-yl]ethenyl]aniline;iodide
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	FtsZ-IN-1 (Compound A3) generally has very modest activity against most Gram-negative bacteria tested (e.g., E. coli ATCC 8739) and effectively inhibits the growth of Staphylococcus aureus with a MIC of 0.5-1 μg/mL. Pseudomonas aeruginosa ATCC 27853 (MIC >64 μg/mL) and low antibacterial effectiveness (MIC = 64 μg/mL) [1]. The MBC and MIC values of FtsZ-IN-1 against Staphylococcus aureus, Bacillus subtilis, and Enterococcus faecium are 4-8 μg/mL and 1-4 μg/mL, respectively [1]. At concentrations of 1×, 2×, and 4× MIC, FtsZ-IN-1 (0-24 μg/mL; 24 hours) suppresses the growth of Staphylococcus aureus in a bacteriostatic way, and at 8× MIC, it kills the bacteria. Aureus Staphylococcus [1]. With a minimum inhibitory concentration of 2 μg/mL, FtsZ-IN-1 can synergistically restore the antibacterial activity of methicillin against MRSA[1]. FtsZ-IN-1 (2 μg/mL; 4 hours) suppresses bacterial cell division and increases cell size [1]. In L929 and HK-2 cells, the IC50 of FtsZ-IN-1 (0-15 μg/mL; 48 hours) is 12.77 and 9.42 μg/mL, correspondingly [1]. Drug resistance induction can be effectively delayed by FtsZ-IN-1 (2 μg/mL) [1]. FtsZ-IN-1 (1-64 μg/mL; 1 hour) demonstrated minimal hemolytic toxicity to mouse erythrocytes (from Kunming mice) in the hemolytic activity experiment, with an IC5 of 64 μg/mL [1].
ln Vivo	FtsZ-IN-1 (1-64 μg/mL; 1 hour) has an IC5 of 64 μg/mL and shows minimal hemolytic toxicity to mouse erythrocytes (from Kunming mice) [1].
Cell Assay	Cytotoxicity assay Cell Types: L929 and HK-2 cells [1] Tested Concentrations: 0-15 μg/mL Incubation Duration: 48 hrs (hours) Experimental Results: IC50 in L929 and HK-2 cells were 12.77 and 9.42 μg/mL, respectively.
References	[1]. Design and synthesis of quinolinium-based derivatives targeting FtsZ for antibacterial evaluation and mechanistic study. Eur J Med Chem. 2022;236:114360.

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	1.9476 mL	9.7379 mL	19.4757 mL
	5 mM	0.3895 mL	1.9476 mL	3.8951 mL
	10 mM	0.1948 mL	0.9738 mL	1.9476 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.