Home Other Building Blocks 737789-87-6
737789-87-6,MFCD25976856
Catalog No.:AA00FBYA

737789-87-6 | Relugolix

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1mg
≥98%
in stock  
$46.00   $32.00
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5mg
≥98%
in stock  
$199.00   $139.00
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10mg
≥98%
in stock  
$348.00   $243.00
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25mg
≥98%
in stock  
$762.00   $533.00
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100mg
98%
in stock  
$1,206.00   $844.00
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250mg
98%
in stock  
$2,641.00   $1,849.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FBYA
Chemical Name:
Relugolix
CAS Number:
737789-87-6
Molecular Formula:
C29H27F2N7O5S
Molecular Weight:
623.6304
MDL Number:
MFCD25976856
SMILES:
CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC
Properties
Computed Properties
 
Complexity:
1010  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
9  
XLogP3:
3.2  

Downstream Synthesis Route
308831-94-9   
TAK-385 

[1]JournalofMedicinalChemistry,2011,vol.54,p.4998-5012

737789-61-6   
CASUnavailable 
  737789-87-6 

[1]Locationinpatent:experimentalpartMiwa,Kazuhiro;Hitaka,Takenori;Imada,Takashi;Sasaki,Satoshi;Yoshimatsu,Mie;Kusaka,Masami;Tanaka,Akira;Nakata,Daisuke;Furuya,Shuichi;Endo,Satoshi;Hamamura,Kazumasa;Kitazaki,Tomoyuki[JournalofMedicinalChemistry,2011,vol.54,#14,p.4998-5012]

[1]CurrentPatentAssignee:SICHUANDINNOVATIONPHARMACEUTICAL-CN110194776,2019,ALocationinpatent:Paragraph0059;0062;0081-0085

[2]CurrentPatentAssignee:CHINANATIONALPHARMACEUTICALGROUPCORPORATION-CN115073491,2022,ALocationinpatent:Paragraph0151-0153

[1]CurrentPatentAssignee:SICHUANDINNOVATIONPHARMACEUTICAL-CN110194776,2019,A

[2]CurrentPatentAssignee:SHENZHENLANGRUNINVESTMENTCO.,LTD.-CN111423452,2020,A

[3]CurrentPatentAssignee:BEIJINGHMYMEDICALTECH-CN113135934,2021,A

[4]CurrentPatentAssignee:CHINANATIONALPHARMACEUTICALGROUPCORPORATION-CN115073490,2022,A

[5]CurrentPatentAssignee:CHINANATIONALPHARMACEUTICALGROUPCORPORATION-CN115073491,2022,A

[6]CurrentPatentAssignee:CHINANATIONALPHARMACEUTICALGROUPCORPORATION-CN115626933,2023,A

[7]CurrentPatentAssignee:CHINANATIONALPHARMACEUTICALGROUPCORPORATION-CN115504994,2022,A

[1]CurrentPatentAssignee:SHENZHENLANGRUNINVESTMENTCO.,LTD.-CN111333633,2020,ALocationinpatent:Paragraph0134-0140

Literature

Title: 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.

Journal: Journal of medicinal chemistry 20110728

Title: Kazuhiro Miwa, et al. Discovery of 1-{4--(2,6-Difluorobenzyl)-5-[(dimethylamino)methyl-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno,3-dpyrimidin-6-ylphenyl}-3-methoxyurea (TAK-385) as a Potent, Orally Active, Non-Peptide Antagonist of the Human Gonadotropin-Releasing Hormone Receptor. doi/10.1021/jm200216q

Title: Daisuke Nakata, et al. Suppression of the hypothalamic-pituitary-gonadal axis by TAK-385 (relugolix), a novel, investigational, orally active, small molecule gonadotropin-releasing hormone (GnRH) antagonist: studies in human GnRH receptor knock-in mice. Eur J Pharmacol. 2014 Jan 15;723:167-74.

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