GSK3739936

Category	HIV Integrase
CAS	1803444-21-4
Description	GSK3739936 (BMS-986180) is a potent HIV-1 allosteric integrase inhibitor with an IC50 value of 11.1 nM and an EC50 value of 1.7 nM. GSK3739936 is also a weak CYP inhibitor (IC50>24.3 μM). GSK3739936 shows favorable pharmacokinetic property in preclinical species with rapid absorption, low to moderate clearance and excellent oral bioavailability.

Quotation Now

Synonyms	GSK3739936\|(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid\|SCHEMBL17006880\|GLXC-25712\|EX-A6912\|BMS-986180\|(2S)-2-[4-(4,4-Dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid\|(2S)-2-tert-butoxy-2-[4-(4,4-dimethyl-1-piperidyl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethyl-3-pyridyl]acetic acid\|(S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-(4-fluorophenethoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid\|1803444-21-4\|GEI
Molecular Weight	562.71
Molecular Formula	C34H43FN2O4
Canonical SMILES	CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Solide Powder -20°C 12 Months; 4°C 6 Months In Solvent -80°C 6 Months -20°C 6 Month
Complexity	821
Exact Mass	562.32068602
In Vitro	SK3739936 is not cytotoxic to MT-2 cells, exhibiting CC50 values of >20 μM.
In Vivo	GSK3739936 exhibits favorable pharmacokinetic property with rapid absorption, low to moderate clearance and excellent oral bioavailability.
Target	HIV; HIV Integrase
XLogP3-AA	7.5