CPUY201112 is a potent inhibitor of the heat shock protein Hsp90 with Kd of 27 nM. CPUY201112 can induce p53-mediated apoptosis of MCF-7 cells and arrest the cell cycle, which may be utilized in cancer-related research.

Physicochemical Properties

Molecular Formula	C19H23N3O4
Molecular Weight	357.403624773026
Exact Mass	357.168
CAS #	1860793-58-3
PubChem CID	124220253
Appearance	Typically exists as solid at room temperature
LogP	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	489
Defined Atom Stereocenter Count	0
InChi Key	BNTRGXQGSZZFCB-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3
Chemical Name	(2,4-dihydroxy-5-propan-2-ylphenyl)-(2-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
Synonyms	CPUY201112; CPUY-201112; CPUY 201112
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	CPUY201112 (0-9 μM, 7 days) lowers the viability of numerous liver lines, such as HCT116 epidermal cells, HepG2 hepatocellular carcinoma and other livers in a dose-dependent manner [1]. CPUY201112 (0-2 μM, 24 h)
ln Vivo	In the MCF-7 xenograft model, CPUY201112 (5–40 mg/kg, ip, daily, 3 weeks) suppresses tumor development [1].
Cell Assay	Cell Proliferation Assay[1] Cell Types: HCT116, HepG2, MCF-7, A549 Tested Concentrations: 0-9 μM Incubation Duration: 7 days Experimental Results: Inhibition of MCF-7, A549 ) can be simulated Induces cell blockade [1]. , HCT116 and HepG2 cells, the IC50 values were 0.624, 0.543, 0.763 and 0.342 μM respectively. Apoptosis analysis [1] Cell Types: MCF-7 and HCT116 Cell Tested Concentrations: 0-2 μM Incubation Duration: 24 h Experimental Results: Induced cell cycle arrest in G2/M phase, and induced apoptosis in more than 35% of MCF-7 cells . Induction of p53-mediated apoptosis in HCT116 cells.
Animal Protocol	Animal/Disease Models: Female BALB/c nude mice MCF-7 cells [1] Doses: 5 mg/kg, 20 mg/kg and 40 mg/kg Route of Administration: intraperitoneal (ip) injection, daily, 3 weeks Experimental Results: Using 5 mg/kg , 20 mg, the tumor volume was diminished by 11.92%, 26.58% and 39.63%/kg and 40 mg/kg respectively. 40 mg/kg Dramatically induced the expression of Hsp70 and diminished the expression of Akt.
References	[1]. CPUY201112, a novel synthetic small-molecule compound and inhibitor of heat shock protein Hsp90, induces p53-mediated apoptosis in MCF-7 cells. Sci Rep. 2016 Jan 8;6:19004.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7980 mL	13.9899 mL	27.9799 mL
	5 mM	0.5596 mL	2.7980 mL	5.5960 mL
	10 mM	0.2798 mL	1.3990 mL	2.7980 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.