ChemicalBook--->CAS DataBase List--->2697176-16-0

2697176-16-0

2697176-16-0 Structure

2697176-16-0 Structure
IdentificationBack Directory
[Name]

1H-Indole-2-carboxamide, 4-fluoro-7-methyl-N-[(1R,3S)-3-[(3S)-3-[methyl(methylsulfonyl)amino]-1-pyrrolidinyl]cyclohexyl]-
[CAS]

2697176-16-0
[Synonyms]

1H-Indole-2-carboxamide, 4-fluoro-7-methyl-N-[(1R,3S)-3-[(3S)-3-[methyl(methylsulfonyl)amino]-1-pyrrolidinyl]cyclohexyl]-
[Molecular Formula]

C22H31FN4O3S
[MOL File]

2697176-16-0.mol
[Molecular Weight]

450.57
Chemical PropertiesBack Directory
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 2 mg/mL, clear
[form ]

Solid
[pka]

14.79±0.40(Predicted)
[color ]

Off-white to yellow
[SMILES]

FC1=C2C(NC(C(N[C@H]3C[C@@H](N4C[C@H](CC4)N(C)S(C)(=O)=O)CCC3)=O)=C2)=C(C=C1)C.[0.75H2O]
Hazard InformationBack Directory
[Biological Activity]

EPZ-719 is a novel and potent SETD2 inhibitor ( IC50 = 0.005 μM) with a high selectivity over other histone methyltransferases.
[References]

[1]. Lampe JW, et al. Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. ACS Med Chem Lett. 2021 Aug 24;12(10):1539-1545.
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