Relugolix

Molecular Mass: 623.6 g/mol

Formula: C₂₉H₂₇F₂N₇O₅S

Smiles: CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1

Synonymes:

Relugolix, 737789-87-6, TAK-385, Orgovyx, TAK 385, TAK385, P76B05O5V6, DTXSID40224167, MYFEMBREE COMPONENT RELUGOLIX, N-(4-(1-((2,6-Difluorophenyl)methyl)-5-((dimethylamino)methyl)-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxyurea, N-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxyurea, 1-(4-{1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea, Urea, N-(4-(1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxy-, relugolixum, 1-(4-(1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1H,2H,3H,4H-thieno(2,3-d)pyrimidin-6-yl)phenyl)-3-methoxyurea, 1-(4-(1-((2,6-difluorophenyl)methyl)-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno(4,5-e)pyrimidin-6-yl)phenyl)-3-methoxyurea, 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea, Urea, N-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxy-, RefChem:57784, DTXCID40146658, 1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyurea, C29H27F2N7O5S, CHEMBL1800159, 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea, Relugolix [USAN:INN], UNII-P76B05O5V6, Orgovyx (TN), MFCD25976856, Relugolix (Standard), RELUGOLIX [INN], RELUGOLIX [JAN], Relugolix(TAK-385), RELUGOLIX [USAN], Relugolix(TAK-385)?, RELUGOLIX [WHO-DD], Relugolix (JAN/USAN/INN), SCHEMBL778416, GTPL5586, orb1303979, orb3141153, RELUGOLIX [ORANGE BOOK], SCHEMBL29386968, AOMXMOCNKJTRQP-UHFFFAOYSA-N, GLXC-10592, HMS5085J09, EX-A1083, TAK-385, RVT-601, BDBM50347982, EBC-17169, HY-16474R, s5808, AKOS027440398, CS-5917, DB11853, SB16721, AC-35863, BP-44043, BS-18032, HY-16474, NS00072569, D10888, EN300-19854622, F979301, Ryeqo (relugolix-estradiol-norethisterone acetate), Q21099000, 1-(4-{1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea, 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-thieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxy-urea, 1-{4-[1-(2,6-difluorobenzyl)-5-dimethylaminomethyl-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea, N-(4-{1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl}phenyl)-N'-methoxyurea, N-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxyurea, 1-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea, Orgovyx, RVT 601, TAK 385

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetonitrile	298.15	-	5.702	[152]
Acetonitrile	303.15	-	6.858	[152]
Acetonitrile	308.15	-	7.765	[152]
Acetonitrile	313.15	-	8.693	[152]
Acetonitrile	318.15	-	9.822	[152]
Acetonitrile	323.15	-	11.38	[152]
Ethanol	298.15	-	1.425	[152]
Ethanol	303.15	-	1.607	[152]
Ethanol	308.15	-	1.797	[152]
Ethanol	313.15	-	2.185	[152]
Ethanol	318.15	-	2.6	[152]
Ethanol	323.15	-	3.111	[152]
Ethyl acetate	298.15	-	2.331	[152]
Ethyl acetate	303.15	-	2.5	[152]
Ethyl acetate	308.15	-	2.81	[152]
Ethyl acetate	313.15	-	3.132	[152]
Ethyl acetate	318.15	-	3.319	[152]
Ethyl acetate	323.15	-	3.522	[152]
Isopropanol	298.15	-	0.535	[152]
Isopropanol	303.15	-	0.669	[152]
Isopropanol	308.15	-	0.826	[152]
Isopropanol	313.15	-	0.9965	[152]
Isopropanol	318.15	-	1.213	[152]
Isopropanol	323.15	-	1.505	[152]
Methanol	298.15	-	6.706	[152]
Methanol	303.15	-	7.762	[152]
Methanol	308.15	-	8.745	[152]
Methanol	313.15	-	9.609	[152]
Methanol	318.15	-	10.66	[152]
Methanol	323.15	-	11.5	[152]

Molecule 3D descriptors

Descriptor	Value
PMI1	4434.3745
PMI2	16539.2931
PMI3	19617.9224
NPR1	0.2260
NPR2	0.8431
RadiusOfGyration	5.7047
InertialShapeFactor	0.0002
Eccentricity	0.9741
Asphericity	0.4692
SpherocityIndex	0.1323
PBF	1.0628