EPZ-031686 ( EPZ031686;EPZ 031686 )

Catalog No. M12763 CAS No. 1808011-22-4

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Datasheet

HNMR

HPLC

MSDS

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Product Name

EPZ-031686
Note

Research use only, not for human use.
Brief Description

A potent, selective, small molecule SMYD3 inhibitor (Biochem IC50=3 nM; Cell IC50= 36 nM).
Description

A potent, selective, small molecule SMYD3 inhibitor (Biochem IC50=3 nM; Cell IC50= 36 nM); displays <30% inhibition against 16 histone methyltransferase targets at 10 uM; shows good oral bioavailability and more favorable ADME profile than EPZ030456; orally active.
Synonyms

EPZ031686;EPZ 031686
Pathway

Chromatin/Epigenetic
Target

HMTase
Recptor

HMTase
Research Area

Cancer
Indication

——

CAS Number

1808011-22-4
Formula Weight

591.09
Molecular Formula

C26H34ClF3N4O4S
Purity

>98% (HPLC)
Solubility

DMSO: ≥ 5.9 mg/mL
SMILES

O=C(C1=CC2=C(NC(C2)=O)C=C1Cl)N[C@H]3C[C@@](N4S(=O)(CC5CCN(CCCC(F)(F)F)CC5)=O)([H])CC[C@@]4([H])C3
Chemical Name

1H-Indole-5-carboxamide, 6-chloro-2,3-dihydro-2-oxo-N-[(3-endo)-8-[[[1-(4,4,4-trifluorobutyl)-4-piperidinyl]methyl]sulfonyl]-8-azabicyclo[3.2.1]oct-3-yl]-

1. Mitchell LH, et al. ACS Med Chem Lett. 2015 Aug 27;7(2):134-8.
2. Rajajeyabalachandran G, et al. Expert Opin Ther Targets. 2017 Feb;21(2):145-157.

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