MS1943 - ≥98% , CAS No.2225938-17-8

CAS: 2225938-17-8 Cat. No.: M414267 Peso molecular: 718.93

GRADE & PURITY ≥98%

Synonyms

6-(6-(4-(2-(2-((3r,5r,7r)-damantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

MS1943 MS1943 is an orally bioavailable EZH2 selective degrader with IC50 of 120 nM.

Targets

EZH2 (Cell-free assay) 120 nM

In vitro

MS1943 is a first-in-class EZH2 selective degrader that effectively reduces EZH2 levels in cells. MS1943 has a profound cytotoxic effect in multiple TNBC cells, while sparing normal cells. MS1943 mediates its cytotoxic effects through ER stress and UPR induction in cells that are dependent for their growth on EZH2.

In vivo

MS1943 is efficacious in vivo and well tolerated in mice at the efficacious dose, suggesting that pharmacologic degradation of EZH2 can be advantageous for treating the cancers that are dependent on EZH2.

Cell Research(from reference)

Cell lines：MDA-MB-468 cells, HCC70 cells, BT549, HCC70 and MDA-MB-231 TNBC cells, KARPAS-422 and SUDHL8 lymphoma cells and PNT2 non-cancerous prostate cells 

Concentrations：5 μM, 4 μM 

Incubation Time：24 h, 6 h 

Specifications

Sinónimos

6-(6-(4-(2-(2-((3r, 5r, 7r)-damantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4, 6-dimethyl-2-oxo-1, 2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

MS1943 is an orally bioavailable EZH2 selective degrader that effectively reduces EZH2 levels in cells with IC50 of 120 nM for inhibiting EZH2 methyltransferase activity.

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.

Pureza

≥98%

Propiedades del producto

• ALogP: 4.773
• hba_count: 5
• Recuento HBD: 3
• Enlace rotable: 11

Nombres e identificadores

• Pubchem Sid: 504773562
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773562
• Sonrisas canónicas: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)CCNC(=O)CC67CC8CC(C6)CC(C8)C7)C(C)C)C
• IUPAC Name: 6-[6-[4-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]piperazin-1-yl]pyridin-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
• InChIKey: WQIQJFXBAJJKNT-UHFFFAOYSA-N
• INCHI: 1S/C42H54N8O3/c1-26(2)50-37-18-33(17-34(36(37)25-46-50)40(52)45-24-35-27(3)13-28(4)47-41(35)53)32-5-6-38(44-23-32)49-11-9-48(10-12-49)8-7-43-39(51)22-42-19-29-14-30(20-42)16-31(15-29)21-42/h5-6,13,17-18,23,25-26,29-31H,7-12,14-16,19-22,24H2,1-4H3,(H,43,51)(H,45,52)(H,47,53)
• Isómeros SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)CCNC(=O)CC67CC8CC(C6)CC(C8)C7)C(C)C)C
• Peso molecular: 718.93
• Reaxy-Rn: 32976539
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32976539&ln=

Objetivos asociados (humanos)

EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (1 Activities)

Discover Target: EZH2

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

MDA-MB-468 (9477 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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 (139.09 mM); Ethanol: 100 mg/mL (139.09 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 139.095600406159
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 718.900 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 718.432 Da
• Monoisotopic Mass: 718.432 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1410.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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