WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 464923
Description: YM181 is a proteolysis-target chimera (PROTAC)-based EZH2 degrader. YM181 induced robust cell viability inhibition in diffuse large B-cell lymphoma (DLBCL) and other subtypes of lymphomas, outperforming a clinically used EZH2 inhibitor EPZ6438 (tazemetostat) that was only effective against DLBCL. The EZH2 degrader displayed promising antitumor activities in lymphoma xenografts and patient-derived primary. lymphoma cells. The study demonstrates that EZH2 degraders have better therapeutic activity than EZH2 inhibitors, which may provide a potential anticancer strategy to treat lymphoma.
MedKoo Cat#: 464923
Chemical Formula: C57H73N7O10S
Exact Mass: 1047.514
Molecular Weight: 1048.31
Elemental Analysis: C, 65.31; H, 7.02; N, 9.35; O, 15.26; S, 3.06
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Synonym: YM181; YM 181; YM-181;
IUPAC/Chemical Name: (2S,4R)-1-((S)-2-(2-(2-(2-((3'-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5'-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-methyl-[1,1'-biphenyl]-4-yl)oxy)ethoxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key: DODCRKMIDHTGAE-RMIMYVLFSA-N
InChi Code: InChI=1S/C57H73N7O10S/c1-9-63(43-18-20-71-21-19-43)48-28-42(27-46(37(48)4)53(67)59-31-47-35(2)26-36(3)61-54(47)68)40-14-16-45(17-15-40)74-25-24-72-22-23-73-33-50(66)62-52(57(6,7)8)56(70)64-32-44(65)29-49(64)55(69)58-30-39-10-12-41(13-11-39)51-38(5)60-34-75-51/h10-17,26-28,34,43-44,49,52,65H,9,18-25,29-33H2,1-8H3,(H,58,69)(H,59,67)(H,61,68)(H,62,66)/t44-,49+,52-/m1/s1
SMILES Code: CC(N1)=CC(C)=C(CNC(C2=CC(C3=CC=C(OCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)=CC(N(CC)C7CCOCC7)=C2C)=O)C1=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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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 1048.31 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: Tu Y, Sun Y, Qiao S, Luo Y, Liu P, Jiang ZX, Hu Y, Wang Z, Huang P, Wen S. Design, Synthesis, and Evaluation of VHL-Based EZH2 Degraders to Enhance Therapeutic Activity against Lymphoma. J Med Chem. 2021 Jul 1. doi: 10.1021/acs.jmedchem.1c00460. Epub ahead of print. PMID: 34196564.