YL-109 is a novel anticancer agent which has ability to inhibit breast cancer cell growth and invasiveness in vitro and in vivo. YL-109 repressed the sphere-forming ability and the expression of stem cell markers in MDA-MB-231 mammosphere cultures. YL-109 increased the expression of carboxyl terminus of Hsp70-interacting protein (CHIP), which suppresses tumorigenic and metastatic potential of breast cancer cells by inhibiting the oncogenic pathway. YL-109 induced CHIP transcription because of the recruitment of the aryl hydrocarbon receptor (AhR) to upstream of CHIP gene in MDA-MB-231 cells. Consistently, the antitumor effects of YL-109 were depressed by CHIP or AhRknockdown in MDA-MB-231 cells [1]. in vivo: Mice treated with vehicle showed significantly enlarged tumors, whereas mice treated with YL-109 showed attenuated tumor growth using MCF-7 cells. Interestingly, YL-109 also suppressed tumor growth in mice injected with MDA-MB-231 cells. Compared with the vehicle control, YL-109 significantly reduced lung metastasis

Physicochemical Properties

Molecular Formula	C14H11NO2S
Molecular Weight	257.31
Exact Mass	257.051
CAS #	36341-25-0
Related CAS #	36341-25-0
Appearance	Light yellow to yellow solid powder
Density	1.327g/cm3
Boiling Point	446.448ºC at 760 mmHg
Flash Point	223.804ºC
Index of Refraction	1.685
LogP	3.677
InChi Key	KRVBOHJNAFQFPW-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3
Chemical Name	4-(1,3-benzothiazol-2-yl)-2-methoxyphenol
Synonyms	YL109; YP-109; YP 109.
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	In breast cancer cells, YL-109 (0.001-10 μM; 96 h or 24 h) inhibits cell motility, proliferation, and invasiveness[1]. In MDA-MB-231 cells, YL-109 (1 μM) raises CHIP mRNA and protein levels[1].
ln Vivo	In vivo, YL-109 (15 mg/kg; sc every 2 days) suppresses the growth of tumors as well as the metastasis of breast cancer cells[1].
Cell Assay	Cell Proliferation Assay[1] Cell Types: MCF-7 and MDA-MB-231 cells Tested Concentrations: 0.001, 0.01, 0.1, 1, 10 μM Incubation Duration: 96 hrs (hours) Experimental Results: Strongly inhibited cell proliferation of MCF -7 and MDA-MB-231 cells in a dose-dependent manner (IC50=85.8 nM and 4.02 μM, respectively).
Animal Protocol	Animal/Disease Models: BALB/cAjcl-nu/nu female mice (4-5 weeks) inoculated with MCF-7 or MDA-MB-231 cells[1] Doses: 15 mg/kg Route of Administration: Sc every 2 days for 63 days Experimental Results: Suppressed tumor growth in mice injected with MCF-7 and MDA-MB-231 cells.
References	[1]. 2-(4-Hydroxy-3-methoxyphenyl)-benzothiazole suppresses tumor progression and metastatic potential of breast cancer cells by inducing ubiquitin ligase CHIP. Sci Rep. 2014 Nov 18;4:7095.

Solubility Data

Solubility (In Vitro)

DMSO:10 mM in DMSO Water:<1 mg/mL Ethanol:

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (11.66 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 30.0 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: 3 mg/mL (11.66 mM) 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; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 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: ≥ 3 mg/mL (11.66 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 30.0 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	3.8864 mL	19.4318 mL	38.8636 mL
	5 mM	0.7773 mL	3.8864 mL	7.7727 mL
	10 mM	0.3886 mL	1.9432 mL	3.8864 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.