WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H207006
CAS#: 1809336-93-3 (tosylate)
Description: Valemetostat, also known as DS-3201 is a potent, selective and orally active EZH1/2 inhibitor. DS-3201 selectively inhibits the activity of both wild-type and mutated forms of EZH1 and EZH2. Inhibition of EZH1/2 specifically prevents the methylation of lysine 27 on histone H3 (H3K27). This decrease in histone methylation alters gene expression patterns associated with cancer pathways, enhances transcription of certain target genes, and results in decreased proliferation of EZH1/2-expressing cancer cells.
Hodoodo Cat#: H207006
Name: Valemetostat tosylayte
CAS#: 1809336-93-3 (tosylate)
Chemical Formula: C33H42ClN3O7S
Exact Mass: 0.00
Molecular Weight: 660.223
Elemental Analysis: C, 60.03; H, 6.41; Cl, 5.37; N, 6.36; O, 16.96; S, 4.86
Related CAS #: 1809336-39-7 (free base). 1809336-93-3 (tosylate) 1809336-92-2 (mesylate) 1809336-94-4 (fumarate) 1809336-95-5 (tarate)
Synonym: Valemetostat tosylayte; Valemetostat; DS-3201; DS 3201; DS3201; DS-3201b
IUPAC/Chemical Name: (2R)-7-chloro-2-[trans-4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide tosylate
InChi Key: JSBKGJUYSLVFPF-WJQUPPJOSA-N
InChi Code: InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17-,18-,26-;/m1./s1
SMILES Code: O=C(C1=CC(Cl)=C(O[C@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)C3=C1C)NCC4=C(C)C=C(C)NC4=O.OS(=O)(C5=CC=C(C)C=C5)=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
More Info: EZH1/2, histone lysine methyltransferase (HMT) class enzymes and catalytic subunits of the polycomb repressive complex 2 (PRC2), are overexpressed or mutated in a variety of cancer cells and play key roles in tumor cell proliferation, progression, stem cell self-renewal and migration
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 660.22 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
Yamagishi M, Hori M, Fujikawa D, et al. Targeting Excessive EZH1 and EZH2 Activities for Abnormal Histone Methylation and Transcription Network in Malignant Lymphomas. Cell Rep. 2019;29(8):2321–2337.e7. doi:10.1016/j.celrep.2019.10.083
