Y-29794 (Compound 2) is a potent, covalently bound inhibitor of prolyl oligopeptidase (POP) with Ki of 0.95 nM. Y-29794 could be used to study neurodegenerative diseases and cancer.

Physicochemical Properties

Molecular Formula	C23H34N2OS2
Molecular Weight	418.66
Exact Mass	404.195
CAS #	129184-48-1
PubChem CID	163408786
Appearance	Typically exists as solid at room temperature
Density	1.1g/cm3
Boiling Point	540.1ºC at 760mmHg
Flash Point	280.5ºC
Vapour Pressure	9.84E-12mmHg at 25°C
Index of Refraction	1.57
LogP	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	27
Complexity	431
Defined Atom Stereocenter Count	0
InChi Key	GIXYZTSUAFPXJL-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H32N2OS2/c1-17(2)19-13-12-18(21(25)20-11-10-16-26-20)22(23-19)27-15-9-7-5-6-8-14-24(3)4/h10-13,16-17H,5-9,14-15H2,1-4H3
Chemical Name	[2-[7-(dimethylamino)heptylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone
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	Y-29794 inhibits the proliferation of TNBC cancer cells BT20, BT549, MDA453, DU4475, MDA 231, MDA468 and SUM159PT (0-10 μM, 4 days), arrests the cell cycle at the G1/sub G1 phase (0-10 μM, 48 h), and induces cell death (5-10 mM)[1].
ln Vivo	Y-29794 (12.5-50 mg/kg, intraperitoneal injection, daily, 5 days a week, for 5 weeks) showed antitumor activity against triple-negative breast cancer in the NOD-SCID mouse model without significant toxicity[1].
Cell Assay	Cell Proliferation Assay[1] Cell Line: TNBC, BT20, BT549, MDA453, DU4475, MDA 231, MDA468, SUM159PT Concentration: 0-10 μM Incubation Time: 4 days Result: Inhibited cell proliferation, induced cell death. Cell Cycle Analysis[1] Cell Line: MDA231, MDA468 Concentration: 0-10 μM Incubation Time: 48 h Result: Arrested cell cycle at G1 phase at 0-5 μM, arrested cell cycle at sub G1 phase at 5-10 μM.
Animal Protocol	Animal Model: TNBC xenograft NOD-SCID mice model[1] Dosage: 12.5-50 mg/kg Administration: i.p., daily, 5 times a week for 5 weeks Result: Inhibited tumor growth, maintained body weight.
References	[1]. Y-29794--a non-peptide prolyl endopeptidase inhibitor that can penetrate into the brain. Neurosci Lett. 1992 Jul 20;141(2):156-60. [2]. Prolyl endopeptidase inhibitor Y-29794 blocks the IRS1-AKT-mTORC1 pathway and inhibits survival and in vivo tumor growth of triple-negative breast cancer. Cancer Biol Ther. 2020 Nov 1;21(11):1033-1040.

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	2.3886 mL	11.9429 mL	23.8857 mL
	5 mM	0.4777 mL	2.3886 mL	4.7771 mL
	10 mM	0.2389 mL	1.1943 mL	2.3886 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.