anti-cancer compound 73 (compound CIB-3b) is an anti-cancer compound that targets TAR RNA-binding protein 2 (TRBP) and disrupts its interaction with Dicer. anti-cancer compound 73 can rebalance the expression profile of oncogenic or tumor suppressor miRNAs. anti-cancer compound 73 suppresses the proliferation/growth and metastasis of liver cancer/tumor cells (HCC) both in vitro & in vivo.

Physicochemical Properties

Molecular Formula	C14H15NO4
Molecular Weight	261.2732
Exact Mass	261.1
CAS #	124811-87-6
PubChem CID	20064063
Appearance	White to light yellow solid powder
LogP	2.835
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	19
Complexity	302
Defined Atom Stereocenter Count	0
InChi Key	DAFRLXQGMZPMLA-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H15NO4/c1-4-18-14(16)12-9(2)19-13(15-12)10-5-7-11(17-3)8-6-10/h5-8H,4H2,1-3H3
Chemical Name	ethyl 2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
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	Anticancer agent 73 (compound CIB-3b) has been shown to increase E-cadherin expression and decrease protein expression levels of fibronectin, N-cadherin, and vimentin in SK-HEP-1 cells. Additionally, it has been observed to inhibit the biogenesis of miRNA, which in turn prevents SK-HEP-1, HCCLM3, and MHCC97L cells from proliferating and migrating [1].
ln Vivo	Anticancer agent 73 reduced the migration and proliferation of SK-HEP-1 and SK-HEP-1 implanted in SCID mice (10, 25, and 50 mg/kg; intravenously every two days for four weeks) [1].
References	[1]. Discovery of a Novel Small-Molecule Inhibitor Disrupting TRBP-Dicer Interaction against Hepatocellular Carcinoma via the Modulation of microRNA Biogenesis. J Med Chem. 2022 Jun 13.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~382.75 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.57 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 (9.57 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 (9.57 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	3.8275 mL	19.1373 mL	38.2746 mL
	5 mM	0.7655 mL	3.8275 mL	7.6549 mL
	10 mM	0.3827 mL	1.9137 mL	3.8275 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.