TBI-223 is an orally bioavailable oxazolidinone antibiotic and anti-bacterial agent. TBI-223 displays activity against Mycobacterium tuberculosis (TB) (Mtb).

Physicochemical Properties

Molecular Formula	C17H20FN3O5
Molecular Weight	365.356207847595
Exact Mass	365.138
CAS #	2071265-08-0
PubChem CID	126494519
Appearance	Typically exists as solid at room temperature
LogP	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	26
Complexity	565
Defined Atom Stereocenter Count	1
SMILES	COC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CC4(C3)COC4)F
InChi Key	ZNBRXLSWXJKKLJ-LBPRGKRZSA-N
InChi Code	InChI=1S/C17H20FN3O5/c1-24-15(22)19-5-12-6-21(16(23)26-12)11-2-3-14(13(18)4-11)20-7-17(8-20)9-25-10-17/h2-4,12H,5-10H2,1H3,(H,19,22)/t12-/m0/s1
Chemical Name	methyl N-[[(5S)-3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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

References

[1]. Chauhan A, et al. Comprehensive review on mechanism of action, resistance and evolution of antimycobacterial drugs. Life Sci. 2021;274:119301. [2]. Motamen S, et al. Analysis of Approaches to Anti-tuberculosis Compounds. ACS Omega. 2020;5(44):28529-28540. Published 2020 Oct 27.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (136.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.84 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 (6.84 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 (6.84 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	2.7370 mL	13.6851 mL	27.3703 mL
	5 mM	0.5474 mL	2.7370 mL	5.4741 mL
	10 mM	0.2737 mL	1.3685 mL	2.7370 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.