Valemetostat (DS-3201) - Moligand™, ≥98% , Inhibitor of enhancer of zeste 1 polycomb repressive complex 2 subunit;Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit, CAS No.1809336-39-7, Inhibitor of enhancer of zeste 1 polycomb repressive complex 2 subunit;Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit

CAS: 1809336-39-7 Cat. No.: V414273 Peso molecular: 488.02

GRADE & PURITY Moligand™, ≥98%

Synonyms

SCHEMBL18393626 | (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 | SCHEMBL18639210 | HY-109108 | NSC813381 | NSC-813381 | Valemetostat | 60RD0234VE | M

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Valemetostat (DS-3201) Valemetostat (DS-3201, DS-3201b) is a selective EZH1/2 dual inhibitor.

Targets

EZH1 ; EZH2

In vitro

Valemetostat significantly reducs ATL cell viability compared with the others. Valemetostat significantly reactivates the expression of the highly H3K27me3-accumulated EZH1/2 target genes in an ex vivo culture of primary ATL cells. Valemetostat shows superior anti-growth effects compared with EZH2-selective inhibitor in malignant lymphoma cell lines..

Cell Research(from reference)

Cell lines：23 cell lines derived from hematological malignancies 

Incubation Time：1, 7, 14 days 

Specifications

Sinónimos

SCHEMBL18393626 | (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 | SCHEMBL18639210 | HY-109108 | NSC813381 | NSC-813381 | Valemetostat | 60RD0234VE | M

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Valemetostat (DS-3201, DS-3201b) is a selective EZH1/2 dual inhibitor.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of enhancer of zeste 1 polycomb repressive complex 2 subunit;Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528767683
• Sonrisas canónicas: CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N(C)C)Cl)C
• 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
• InChIKey: SSDRNUPMYCFXGM-ZZHSESOFSA-N
• 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
• Isómeros SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N(C)C)Cl)C
• Peso molecular: 488.02
• Reaxy-Rn: 37408807
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37408807&ln=

Objetivos asociados (humanos)

EZH1 Tchem Histone-lysine N-methyltransferase EZH1 (0 Activities)

Discover Target: EZH1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (0 Activities)

Discover Target: EZH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (2012 Activities)

Discover Target: EZH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EZH1 Tchem Histone-lysine N-methyltransferase EZH1 (112 Activities)

Discover Target: EZH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (204.9 mM)
• Peso molecular: 488.000 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 487.224 Da
• Monoisotopic Mass: 487.224 Da
• Topological Polar Surface Area: 79.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 879.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1