YK-3-237 is a SIRT1 activator targeting mutant p53. YK-3-237 suppresses the proliferation/growth of triple-negative breast cancer/tumor cells.

Physicochemical Properties

Molecular Formula	C19H21BO7
Molecular Weight	372.18
Exact Mass	372.138
CAS #	1215281-19-8
PubChem CID	24881094
Appearance	White to light yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	616.2±65.0 °C at 760 mmHg
Flash Point	326.5±34.3 °C
Vapour Pressure	0.0±1.9 mmHg at 25°C
Index of Refraction	1.577
LogP	3.52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	27
Complexity	484
Defined Atom Stereocenter Count	0
SMILES	B(C1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC)(O)O
InChi Key	AKNGHUAJAODDJA-FNORWQNLSA-N
InChi Code	InChI=1S/C19H21BO7/c1-24-16-8-6-12(9-14(16)20(22)23)5-7-15(21)13-10-17(25-2)19(27-4)18(11-13)26-3/h5-11,22-23H,1-4H3/b7-5+
Chemical Name	[2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]boronic acid
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

Targets	SIRT1
ln Vitro	At submicromolar concentrations, YK-3-237 demonstrates anti-proliferative activity against the majority of tested breast cancer cell lines. Breast cancer cell lines expressing mtp53 are specifically inhibited by YK-3-237[1]. With IC50s of 0.160±0.043, YK-3-237 inhibits the growth of HS578T, MDA-MB-453, SUM1315MO2, SUM149PT, BT549, MDA-MB-231, MDA-MB-436, MDA-MB-468, and HCC1937, which are triple-negative breast cancers. Luminal T47D, MCF7, and ZR-75-1 have IC50s of 1.573±0.370, 2.402±0.256, and 3.822±0.967 µM, respectively. HER2 BT474 and SK-BR-3 are inhibited by YK-3-237, with IC50s of 1.249±0.372 and 0.346±0.066 µM, respectively[1]. In TNBC cell lines, YK-3-237 (0.01-10 µM; 24 hours) deacetylates mtp53[1]. When NRK-49F cells are used to activate renal interstitial fibroblasts, YK-3-237 is a powerful activator of Sirt1[2]. When cells are exposed to YK-3-237, they also exhibit a dose-dependent reduction in the expression of α-SMA and fibronectin, with the highest inhibition observed at 10 μM [2].
Cell Assay	Cell Viability Assay[1] Cell Types: BT549, MDA-MB-468, HS578T, SUM149PT Tested Tested Concentrations: 0, 0.01, 0.03, 0.1, 0.3, 1, 3, 10 µM Incubation Duration: 24 hrs (hours) Experimental Results: diminished both the acetylation of K382 and the level of mtp53 in a dose-dependent manner in mtp53 TNBC cell lines.
References	[1]. Targeting mutant p53 by a SIRT1 activator YK-3-237 inhibits the proliferation of triple-negative breast cancer cells. Oncotarget. 2013 Jul;4(7):984-94. [2]. Activation of Sirtuin-1 Promotes Renal Fibroblast Activation and Aggravates Renal Fibrogenesis. J Pharmacol Exp Ther. 2015 Aug;354(2):142-51.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (268.69 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.72 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 (6.72 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	2.6869 mL	13.4344 mL	26.8687 mL
	5 mM	0.5374 mL	2.6869 mL	5.3737 mL
	10 mM	0.2687 mL	1.3434 mL	2.6869 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.