WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 462433
Description: YHO-13351 is the water-soluble prodrug of YHO-13177, which is a potent and specific inhibitor of BCRP.
MedKoo Cat#: 462433
Chemical Formula: C27H37N3O7S2
Exact Mass: 579.2073
Molecular Weight: 579.727
Elemental Analysis: C, 55.94; H, 6.43; N, 7.25; O, 19.32; S, 11.06
Synonym: YHO-13351; YHO13351; YHO 13351
IUPAC/Chemical Name: (Z)-1-(5-(2-cyano-2-(3,4-dimethoxyphenyl)vinyl)thiophen-2-yl)piperidin-4-yl diethylglycinate methanesulfonate
InChi Key: XOEIHKAPFXUACW-QMGGKDRNSA-N
InChi Code: InChI=1S/C26H33N3O4S.CH4O3S/c1-5-28(6-2)18-26(30)33-21-11-13-29(14-12-21)25-10-8-22(34-25)15-20(17-27)19-7-9-23(31-3)24(16-19)32-4;1-5(2,3)4/h7-10,15-16,21H,5-6,11-14,18H2,1-4H3;1H3,(H,2,3,4)/b20-15+;
SMILES Code: N#C/C(C1=CC=C(OC)C(OC)=C1)=C\C2=CC=C(N3CCC(OC(CN(CC)CC)=O)CC3)S2.O=S(C)(O)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 579.727 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Yamazaki R, Nishiyama Y, Furuta T, et al. Novel acrylonitrile derivatives, YHO-13177 and YHO-13351, reverse BCRP/ABCG2-mediated drug resistance in vitro and in vivo. Mol Cancer Ther. 2011;10(7):1252-1263. doi:10.1158/1535-7163.MCT-10-0874