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2095161-11-6

2095161-11-6 Structure

2095161-11-6 Structure
IdentificationBack Directory
[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]-
[CAS]

2095161-11-6
[Synonyms]

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]-
[Molecular Formula]

C26H34ClF3N4O4S
[MOL File]

2095161-11-6.mol
[Molecular Weight]

591.09
Chemical PropertiesBack Directory
[density ]

1.44±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

12.73±0.20(Predicted)
[color ]

White to light yellow
Hazard InformationBack Directory
[Uses]

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].
[in vivo]

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]

RouteDose (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.1275.32.31.7//603616
p.o.5///2.7/td> 0.8934512811479
p.o.50///2.21.346932115821170
[IC 50]

SMYD3: 3 nM (IC50)
[References]

[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. DOI:10.1021/acsmedchemlett.5b00272
2095161-11-6 suppliers list
Company Name: Sichuan Wei Keqi Biological Technology Co., Ltd.  
Tel: 028-81700200 18116577057
Website: https://www.weikeqi-biotech.com/
Company Name: Biorbyt Ltd.  
Tel: +44 (0)1223 859 353
Website: http://www.biorbyt.com
Company Name: Guangzhou Xinghe Biotechnology Co., Ltd.  
Tel: 15889822182
Website: www.chemicalbook.com/ShowSupplierProductsList48492/0_EN.htm
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