Art. -Nr.: HY-100209

Sufugolix

(Synonyms: TAK-013)

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Sufugolix (TAK-013) is a highly potent and orally available luteinizing hormone-releasing hormone (LHRH) receptor antagonist with an IC₅₀ of 0.1 nM.

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Reinheit: 98.0%
CAS. Nr.: 308831-61-0
Formel: C₃₆H₃₁F₂N₅O₄S
Molecular Weight:667.72

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years

* The compound is unstable in solutions, freshly prepared is recommended.

Sufugolix Chemical Structure

CAS. Nr.: 308831-61-0

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Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
Protokoll
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

Sufugolix (TAK-013) is a highly potent and orally available luteinizing hormone-releasing hormone (LHRH) receptor antagonist with an IC₅₀ of 0.1 nM.

IC₅₀ & Target

IC50: 0.1 nM (human LHRH), 0.6 nM (monkey LHRH)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
CHO	IC₅₀	0.06 nM Compound: 9k	Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human	[PMID: 12502365]
CHO	IC₅₀	0.1 nM Compound: 9k	Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese hamster ovary (CHO) cells. Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese hamster ovary (CHO) cells.	[PMID: 12502365]
CHO	IC₅₀	0.6 nM Compound: 9k	Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to LHRH receptor in monkey (chinese hamster ovary (CHO) cells) Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to LHRH receptor in monkey (chinese hamster ovary (CHO) cells)	[PMID: 12502365]
CHO	IC₅₀	10 nM Compound: 9k	Tested for inhibition of arachidonic acid(AA) release from CHO cells in Monkey Tested for inhibition of arachidonic acid(AA) release from CHO cells in Monkey	[PMID: 12502365]
CHO	IC₅₀	0.6 nM Compound: 2, TAK-013	Binding affinity at cynomolgus monkey GnRH receptor expressed in CHO cells Binding affinity at cynomolgus monkey GnRH receptor expressed in CHO cells	[PMID: 18419112]
CHO	IC₅₀	10 nM Compound: 2, TAK-013	Activity at cynomolgus monkey GnRH receptor expressed in CHO cells assessed as inhibition of arachidonic acid release Activity at cynomolgus monkey GnRH receptor expressed in CHO cells assessed as inhibition of arachidonic acid release	[PMID: 18419112]
CHO	IC₅₀	0.06 nM Compound: 1	Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting	[PMID: 21657270]
CHO	IC₅₀	0.1 nM Compound: 1	Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter	[PMID: 21657270]
CHO	IC₅₀	1.3 nM Compound: 1	Displacement of [125I]leuprorelin from rat GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum Displacement of [125I]leuprorelin from rat GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum	[PMID: 21657270]
CHO	IC₅₀	1.6 nM Compound: 1	Displacement of [125I]leuprorelin from monkey GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum Displacement of [125I]leuprorelin from monkey GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum	[PMID: 21657270]
CHO	IC₅₀	1.6 nM Compound: 1	Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum	[PMID: 21657270]
CHO	IC₅₀	13694 nM Compound: 1	Antagonist activity at monkey GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting in Antagonist activity at monkey GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting in	[PMID: 21657270]
COS-7	IC₅₀	0.5 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	0.7 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	0.8 nM Compound: 4	Displacement of [125I]-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells Displacement of [125I]-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	1.2 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	1.9 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	10 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	100 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR H306E mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR H306E mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	110 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	12 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	120 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	190 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	24 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	24 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cells	[PMID: 17034124]
COS-7	IC₅₀	6 nM Compound: 4	Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cells Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cells	[PMID: 17034124]

In Vitro

Sufugolix exhibits more than 3- and 2000-fold selectivity for the human receptor over the monkey and rat receptors, respectively. Sufugolix effectively antagonizes LHRH function on CHO cells expressing the human (IC₅₀=0.1 nM) and monkey (IC₅₀=0.6 nM) receptors. During the conformational analysis of sufugolix, using high-temperature molecular dynamics calculation, it is observed that the cis conformer of the methoxyurea is more populated than the trans conformer ^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Oral administration of sufugolix causes almost complete suppression of the plasma LH levels in castrated male cynomolgus monkeys at a 30 mg/kg dose with sufficient duration of action (more than 24 h). The maximum plasma concentrations of sufugolix are 0.34 μM (reached 6 h after administration) and 0.18 μM (reached 4 h after administration) at 30 and 10 mg/kg doses, respectively^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

CAS. Nr. 308831-61-0
Appearance Solid
Molecular Weight 667.72
Formel C₃₆H₃₁F₂N₅O₄S
Color Light yellow to yellow
SMILES

O=C(NOC)NC1=CC=C(C(S2)=C(CN(C)CC3=CC=CC=C3)C(C(N4C5=CC=CC=C5)=O)=C2N(CC6=C(F)C=CC=C6F)C4=O)C=C1
Synonyms

TAK-013
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years

* The compound is unstable in solutions, freshly prepared is recommended.

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 20 mg/mL (29.95 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : < 0.1 mg/mL (insoluble)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.4976 mL

7.4882 mL

14.9763 mL

5 mM

0.2995 mL

1.4976 mL

2.9953 mL

10 mM

0.1498 mL

0.7488 mL

1.4976 mL

Please refer to the solubility information to select the appropriate solvent. The compound is unstable in solutions, freshly prepared is recommended.

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

Protokoll

Kinase Assay^[1]

The receptor-expressing CHO cells are seeded into 24-well plates at a density of 4×10⁴ cells/well and cultured for 1 day. The cells are then incubated with [5,6,8,9,11,12,14,15-³H]arachidonic acid (11 kBq/well) for 1 day and ished with DMEM supplemented with 20 mM HEPES and 0.2% BSA. The cells are then preincubated with the compounds (Sufugolix) at 37 °C for 60 min and the reaction is started by addition of LHRH (1 nM). After incubation at37 °C for 40 min, radioactivity in the medium is measured with a liquid scintillation counter^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Administration^[1]

Monkeys: Sufugolix (10 or 30 mg/kg, 3 mL/kg, n=3 for each group) is suspended in 0.5% methylcellulose containing 1.2% citric acid, or 0.5% methylcellulose containing 1.2% citric acid alone (3 mL/kg, n=3), are administered orally. Blood samples (heparin-plasma) are collected from a femoral vein 24 h before administration and 0, 2, 4, 8, 24, and 48 h after administration. LH concentrations in the plasma are measured by bioassays using mouse testicular cells^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Sasaki S, et al. Discovery of a thieno[2,3-d]pyrimidine-2,4-dione bearing a p-methoxyureidophenyl moiety at the 6-position: a highly potent and orally bioavailable non-peptide antagonist for the human luteinizing hormone-releasing hormone receptor. J Med Chem. 2003 Jan 2;46(1):113-24. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Please refer to the solubility information to select the appropriate solvent. The compound is unstable in solutions, freshly prepared is recommended.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	1.4976 mL	7.4882 mL	14.9763 mL	37.4408 mL
	5 mM	0.2995 mL	1.4976 mL	2.9953 mL	7.4882 mL
	10 mM	0.1498 mL	0.7488 mL	1.4976 mL	3.7441 mL
	15 mM	0.0998 mL	0.4992 mL	0.9984 mL	2.4961 mL
	20 mM	0.0749 mL	0.3744 mL	0.7488 mL	1.8720 mL
	25 mM	0.0599 mL	0.2995 mL	0.5991 mL	1.4976 mL

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Sufugolix

MCE Bioactive Compound Library

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Clinical Compound Library Plus

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Protokoll

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Sufugolix

MCE Bioactive Compound Library

Drug Repurposing Compound Library Plus

Clinical Compound Library Plus

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Protokoll

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Sufugolix Related Classifications

HY-100209 Related Classifications