Antitubercular agent-30 is an antibacterial drug against Mycobacterium tuberculosis (MIC=50 μg/mL). Antitubercular agent-30 has little cytotoxic effect on mouse macrophages (LD85=~100 μg/mL).

Physicochemical Properties

Molecular Formula	C12H10N2O3S
Molecular Weight	262.28
Exact Mass	262.041
CAS #	384857-54-9
PubChem CID	2970898
Appearance	Typically exists as solid at room temperature
Density	1.421±0.06 g/cm3(Predicted)
Boiling Point	517.5±40.0 °C(Predicted)
Melting Point	125-127 °C
LogP	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Complexity	311
Defined Atom Stereocenter Count	0
SMILES	S1C([H])=C([H])C([H])=C1C([H])([H])C(N([H])C1C([H])=C([H])C(=C([H])C=1[H])[N+](=O)[O-])=O
InChi Key	BOASBEGFXYCEPO-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H10N2O3S/c15-12(8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
Chemical Name	N-(4-nitrophenyl)-2-thiophen-2-ylacetamide
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

ln Vitro	For concentrations less than 10 μg/mL, antitubercular agent-30 (compound 16) (0.1-100 μg/mL; 18 h) has no cytotoxic effect on mouse macrophages [1].
References	[1]. Silva Lourenço MC, et al. Synthesis and biological evaluation of N-(aryl)-2-thiophen-2-ylacetamides series as a new class of antitubercular agents. Bioorg Med Chem Lett. 2007 Dec 15;17(24):6895-8.

Solubility Data

Solubility (In Vitro)

DMSO : 125 mg/mL (476.59 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.93 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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.8127 mL	19.0636 mL	38.1272 mL
	5 mM	0.7625 mL	3.8127 mL	7.6254 mL
	10 mM	0.3813 mL	1.9064 mL	3.8127 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.