MedKoo Cat#: 466204 | Name: YM-458

Description:

WARNING: This product is for research use only, not for human or veterinary use.

YM-458 is a Dual EZH2/BRD4 Inhibitors to Target Solid Tumors. It has an IC50 (EZH2)=490 nM and IC50 (BRD4)= 34 nM. YM458 displays potent inhibitory activity against EZH2 and BRD4 and remarkable antiproliferative capacity against 11 solid cancer cell lines. Its in vivo therapeutic potential is validated in both lung cancer and pancreatic cancer xenograft tumor mice models, highlighting the potential of EZH2/BRD4 dual inhibitors to target a broad scope of EZH2 inhibitor-resistant solid tumors.

Chemical Structure

YM-458
YM-458
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 466204

Name: YM-458

CAS#: unknown

Chemical Formula: C53H61ClN8O5S

Exact Mass: 956.4174

Molecular Weight: 957.63

Elemental Analysis: C, 66.47; H, 6.42; Cl, 3.70; N, 11.70; O, 8.35; S, 3.35

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
YM-458; YM458; YM 458;
IUPAC/Chemical Name
(R)-4'-((5-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)pentyl)oxy)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-[1,1'-biphenyl]-3-carboxamide
InChi Key
UOTPJXAROHNZGU-WBVITSLISA-N
InChi Code
InChI=1S/C53H61ClN8O5S/c1-8-61(41-20-24-66-25-21-41)46-28-39(27-43(34(46)5)51(64)56-30-44-31(2)26-32(3)57-52(44)65)37-14-18-42(19-15-37)67-23-11-9-10-22-55-47(63)29-45-50-60-59-36(7)62(50)53-48(33(4)35(6)68-53)49(58-45)38-12-16-40(54)17-13-38/h12-19,26-28,41,45H,8-11,20-25,29-30H2,1-7H3,(H,55,63)(H,56,64)(H,57,65)/t45-/m1/s1
SMILES Code
O=C(NCCCCCOC1=CC=C(C2=CC(N(C3CCOCC3)CC)=C(C)C(C(NCC4=C(C)C=C(C)NC4=O)=O)=C2)C=C1)C[C@@H]5C6=NN=C(C)N6C(SC(C)=C7C)=C7C(C8=CC=C(Cl)C=C8)=N5
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 957.63 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.

Recalculate based on batch purity %
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: Guo Z, Sun Y, Liang L, Lu W, Luo B, Wu Z, Huo B, Hu Y, Huang P, Wu Q, Wen S. Design and Synthesis of Dual EZH2/BRD4 Inhibitors to Target Solid Tumors. J Med Chem. 2022 May 12;65(9):6573-6592. doi: 10.1021/acs.jmedchem.1c01876. Epub 2022 May 2. PMID: 35500243.