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> G Protein-Coupled Receptor Ligands>EAA Receptors>TAK-385 (Relugolix)

EAA Receptors

TAK-385 View larger

TAK-385 (Relugolix)

AOB37681

CAS: 737789-87-6

 

Chemical Name: Relugolix; 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

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QuantitymgUnit Price ($/mg or $/Unit)Final Price
15 $9.35 Total: $46.75
110 $7.92 Total: $79.20
125 $6.71 Total: $167.75
150 $5.72 Total: $286.00
1100 $4.95 Total: $495.00

Data sheet

Molecular FormulaC29H27F2N7O5S
Molecular Weight623.63
CAS Numbers737789-87-6
Storage Condition0°C (short term), -20°C (long term), desiccated
SolubilityDMSO
Purity98% by HPLC
SynonymTAK385; TAK-385; TAK 385; Relugolix.
IUPAC/Chemical Name1-(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
InChl KeyAOMXMOCNKJTRQP-UHFFFAOYSA-N
InChl CodeInChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)
SMILES CodeO=C(NOC)NC1=CC=C(C(S2)=C(CN(C)C)C(C(N3C4=NN=C(OC)C=C4)=O)=C2N(CC5=C(F)C=CC=C5F)C3=O)C=C1
References1) Miwa K, Hitaka T, Imada T, Sasaki S, Yoshimatsu M, Kusaka M, Tanaka A, Nakata D, Furuya S, Endo S, Hamamura K, Kitazaki T. Discovery of 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 (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem. 2011 Jul 28;54(14):4998-5012. Epub 2011 Jun 23. PubMed PMID: 21657270.
PubChem ID11245456

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Novel, orally active gonadotropin-releasing hormone (GnRH) antagonist