EPZ031686

• CAT Number: I046367
• CAS Number: 2095161-11-6
• Molecular Formula: C26H34ClF3N4O4S
• Molecular Weight: 591.09
• Purity: ≥95%
• Synonyms: 6-chloro-2-oxo-N-[(1S,5R)-8-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
• InChI: InChI=1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18?,19-,20+
• InChIKey: OTEIUEJPHNOGBG-IHWFROFDSA-N
• SMILES: C1CC2CC(CC1N2S(=O)(=O)CC3CCN(CC3)CCCC(F)(F)F)NC(=O)C4=C(C=C5C(=C4)CC(=O)N5)Cl

EPZ031686 is an potent and orally active SMYD3 inhibitor and with an IC50 value of 3 nM. EPZ031686 can be used for cancer research[1].
EPZ031686 (1-50 mg/mL; p.o. and i.v.; Male CD-1 mice) has good bioavailability following oral dosing in mice[1].
Pharmacokinetic Analysis in Male CD-1 mice[1]

Route
Dose (mg/kg)
CL (mL/min/kg)
CLr (mL/min/kg)
Vss (L/kg)
tmax (h)
tmax (h)
Cmax (ng/mL)
AUClast (ng·h/mL)
AUCINF_obs (ng·h/mL)

i.v.
1
27
5.3
2.3
1.7
/
/
603
616

p.o.
5
/
/
/
2.7/td>
0.89
345
1281
1479

p.o.
50
/
/
/
2.2
1.3
4693
21158
21170

Reference

[1]. Mitchell LH, et, al. Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. ACS Med Chem Lett. 2015 Aug 27;7(2):134-8.
 [Content Brief]