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Screening compounds

DS-3201b

Also known as Valemetostat, EZH1/2 inhibitor DS-3201, (2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide

CAS 1809336-39-7Formula C26H34ClN3O4Molar mass 488.03 g/mol
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DS-3201b chemical structure, C26H34ClN3O4, CAS 1809336-39-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1809336-39-7
Formula
C26H34ClN3O4
Molar mass
488.03 g/mol
HS code
293499
Category
Screening compounds

What is DS-3201b?

Plain description, key identifiers and synonyms

Valemetostat is an orally available selective inhibitor of the histone lysine methyltransferases enhancer of zeste homolog 1 (EZH1) and 2 (EZH2), with potential antineoplastic activity. Upon oral administration, valemetostat 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. 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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide
CAS number
1809336-39-7
Molecular formula
C26H34ClN3O4
UNII
60RD0234VE
MDL number
MFCD31692361
InChIKey
SSDRNUPMYCFXGM-ZZHSESOFSA-N
InChI
InChI=1S/C26H34ClN3O4/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/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17?,18?,26-/m1/s1
Canonical SMILES
Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)OC(C)(C2CCC(N(C)C)CC2)O3)c(=O)[nH]1
Isomeric SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N(C)C)Cl)C

Synonyms

  • Valemetostat
  • EZH1/2 inhibitor DS-3201
  • (2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide
  • Valemetostat (INN)
  • (2R)-7-Chloro-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-[trans-4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide
  • (R)-7-chloro-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-((1r,4R)-4-(dimethylamino)cyclohexyl)-2,4-dimethylbenzo[d][1,3]dioxole-5-carboxamide
  • (R)-7-Chloro-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-(trans-4-(dimethylamino)cyclohexyl)-2,4-dimethylbenzo[d][1,3]dioxole-5-carboxamide
  • Valemetostat (DS-3201)
  • Ezharmia
  • Valemetostat?
  • (R)-OR-S2
  • Valemetostat 2HCl
  • (R)-7-Chloro-2-[trans-4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridyl)methyl]-2,4-dimethyl-1,3-benzodioxol-5-carboxamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
488.03 g/molcalc.
Exact mass
487.2238 Dacalc.
LogP (octanol/water)
4.49calc.
Topological polar surface area
83.66 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(NCc1ccc[nH]c1=O)c1ccc2c(c1)OC(C1CCCCC1)O2

O=C(NCc1ccc[nH]c1=O)c1ccc2c(c1)OC(C1CCCCC1)O2

4 rings, 26 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

DS-3201b suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    DS-3201bGrade, purity and minimum order on request
    Price on request
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DS-3201b price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code DS-3201b is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for DS-3201b is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about DS-3201b, based on the data on this page

What is DS-3201b?

Valemetostat is an orally available selective inhibitor of the histone lysine methyltransferases enhancer of zeste homolog 1 (EZH1) and 2 (EZH2), with potential antineoplastic activity. Upon oral administration, valemetostat selectively inhibits the activity of both wild-type and mutated forms of EZH1 and EZH2.

What is the CAS number of DS-3201b?

The CAS registry number of DS-3201b is 1809336-39-7.

What is the molecular formula and weight of DS-3201b?

The molecular formula of DS-3201b is C26H34ClN3O4 and its molar mass is 488.03 g/mol.

What is DS-3201b used for?

Known uses and roles of DS-3201b include building blocks in research and laboratory and screening compounds in research and laboratory.

Is DS-3201b hazardous?

No GHS hazard classification for DS-3201b is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of DS-3201b?

DS-3201b is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy DS-3201b?

CompoundList lists 1 supplier of DS-3201b in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of DS-3201b?

Suppliers quote DS-3201b on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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