YHO-13177 is a highly active breast cancer resistance protein multidrug transport channel (BCRP) inhibitor that can enhance the activity of SN-38 and has no effect on P-gp.

Physicochemical Properties

Molecular Formula	C20H22N2O3S
Molecular Weight	370.46
Exact Mass	370.135
Elemental Analysis	C, 64.84; H, 5.99; N, 7.56; O, 12.96; S, 8.65
CAS #	912287-56-0
Related CAS #	912287-56-0;
PubChem CID	16757522
Appearance	Light yellow to yellow solid powder
LogP	3.855
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Complexity	538
Defined Atom Stereocenter Count	0
SMILES	C(/C1C=CC(OC)=C(OC)C=1)(\C#N)=C\C1=CC=C(N2CCC(O)CC2)S1
InChi Key	NOGGBVNCVONHHC-RVDMUPIBSA-N
InChi Code	InChI=1S/C20H22N2O3S/c1-24-18-5-3-14(12-19(18)25-2)15(13-21)11-17-4-6-20(26-17)22-9-7-16(23)8-10-22/h3-6,11-12,16,23H,7-10H2,1-2H3/b15-11+
Chemical Name	(Z)-2-(3,4-Dimethoxyphenyl)-3-(5-(4-hydroxypiperidin-1-yl)thiophen-2-yl)acrylonitrile
Synonyms	YHO-13177 YHO 13177 YHO13177
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

References

: Zhang L, Zhao J, Liang C, Liu M, Xu F, Wang X. A novel biosensor based on intestinal 3D organoids for detecting the function of BCRP. Drug Deliv. 2017 Nov;24(1):1453-1459. doi: 10.1080/10717544.2017.1381199. PubMed PMID: 28949254.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~89.97 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6993 mL	13.4967 mL	26.9935 mL
	5 mM	0.5399 mL	2.6993 mL	5.3987 mL
	10 mM	0.2699 mL	1.3497 mL	2.6993 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.