Antibacterial agent 125 is an antibacterial agent. Antibacterial agent 125 has potent anti-bacterial effect against clinically relevant Gram-positive (Gram+) pathogens with MIC50s in the range 0.25 - 8 μM. Antibacterial agent 125 may be utilized to study resistance to antimicrobial active molecules.

Physicochemical Properties

Molecular Formula	C15H11CLN2O
Molecular Weight	270.71364235878
Exact Mass	270.055
CAS #	1274611-43-6
PubChem CID	55084117
Appearance	White to off-white solid powder
LogP	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Complexity	354
Defined Atom Stereocenter Count	0
SMILES	C1(CC(NC2=CC=C(C#N)C=C2)=O)=CC=CC(Cl)=C1
InChi Key	QUFHIWLHKLGWNH-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H11ClN2O/c16-13-3-1-2-12(8-13)9-15(19)18-14-6-4-11(10-17)5-7-14/h1-8H,9H2,(H,18,19)
Chemical Name	2-(3-chlorophenyl)-N-(4-cyanophenyl)acetamide
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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	MIC50: 0.25 - 8 μM (Gram-positive pathogens)[1]
ln Vitro	Antibacterial agent 125 exhibits efficacy against Gram-positive infections that are clinically significant, with MIC50 values ranging from 0.25 to 8 μM[1]. Methicillin-resistant strains of Staphylococcus aureus are inhibited by antibacterial agent 125 without causing cytotoxicity in human cells[1]. features an outstanding safety profile and strong metabolic stability[1]. After ten passages, antibacterial agent 125 does not cause resistance and has a moderate ability to suppress the formation of biofilms[1].
References	[1]. Isocyanides in med chem: A scaffold hopping approach for the identification of novel 4-isocyanophenylamides as potent antibacterial agents against methicillin-resistant Staphylococcusaureus. Eur J Med Chem. 2022 Nov 26;246:114950.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (923.50 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.68 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 20.8 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: ≥ 2.08 mg/mL (7.68 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 20.8 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	3.6940 mL	18.4699 mL	36.9399 mL
	5 mM	0.7388 mL	3.6940 mL	7.3880 mL
	10 mM	0.3694 mL	1.8470 mL	3.6940 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.