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Orteronel P450 (e.g. CYP17) inhibitor

Name: Orteronel
Brand: Selleck Chemicals
SKU: S1195
Rating: 5 (3 reviews)

Cat.No.S1195

Orteronel (TAK-700) is a potent and highly selective human 17,20-lyase inhibitor with an IC50 of 38 nM, exhibiting >1000-fold selectivity over other CYPs (e.g. 11-hydroxylase and CYP3A4). This compound is an androgen biosynthesis inhibitor. Phase 3.

Chemical Structure

Molecular Weight: 307.35

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Quality Control

Batch: Purity: 99.16%

99.16

Related Targets	Dehydrogenase HSP Transferase PDE phosphatase PPAR Vitamin Carbohydrate Metabolism Mitochondrial Metabolism Drug Metabolite
Other P450 (e.g. CYP17) Inhibitors	Apigenin Baicalein Avasimibe Naringenin Diosmetin Alizarin Benzbromarone Sodium Danshensu Naringin Piperine

Chemical Information, Storage & Stability

Molecular Weight	307.35	Formula	C₁₈H₁₇N₃O₂	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	426219-18-3	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	TAK-700			Smiles	CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

Solubility

In vitro
Batch:

DMSO : 61 mg/mL (198.47 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 8 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	0.5% methylcellulose Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	10.000mg/ml (32.54mM)	Taking the 1 mL working solution as an example, take 10 mg of this product, add it to 1 ml of 0.5% methylcellulose clear solution, and mix evenly to form a uniform suspension. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	17,20-lyase (Human) 38 nM 17,20-lyase (Rat) 54 nM
In vitro	In vitro, TAK-700 shows potent inhibitory activity against rat and human steroid 17,20-lyase with IC50 of 54 nM and 38 nM, respectively. While other CYP isoforms including 11-hydroxylase and CYP3A4 are not significantly affected by this compound. In microsomes expressing human CYP isoforms, this chemical exhibits greater inhibitory effects on 17,20-lyase with IC50 of 19 nM compared to the other CYP isoforms. This compound shows inhibitory activity against monkey 17,20-lyase and 17-hydroxylase with IC50 of 27 nM and 38 nM, respectively. In monkey adrenal cells, this chemical inhibits the ACTH stimulated production of DHEA and androstenedione with IC50 of 110 nM and 130 nM, respectively. Moreover, this compound also potently inhibits DHEA production in human adrenocortical tumour line H295R cells with IC50 of 37 nM.
In vivo	In cynomolgus monkeys, oral treatment of Orteronel (TAK-700) at a dose of 1 mg/kg markedly reduces serum testosterone and dehydroepiandrosterone (DHEA) levels. Oral treatment of this compound at a dose of 1 mg/kg results in favourable pharmacokinetic parameters with T_max, C_max, t_1/2 and AUC_{0-24 hours} of 1.7 hours, 0.147 μg/mL, 3.8 hours and 0.727 μg h/mL, respectively.
References	[1] https://pubmed.ncbi.nlm.nih.gov/21978946/ [2] https://pubmed.ncbi.nlm.nih.gov/22249003/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT01808040	Completed	Post Menopausal Hormone Receptor Positive Breast Cancer	University of Wisconsin Madison\|Millennium Pharmaceuticals Inc.	November 2012	Phase 1
NCT01666314	Completed	Prostate Cancer	Millennium Pharmaceuticals Inc.\|Takeda	August 20 2012	Phase 1\|Phase 2
NCT01549951	Completed	Prostate Cancer	Millennium Pharmaceuticals Inc.	May 2012	Phase 2
NCT01084655	Completed	Prostate Cancer	Millennium Pharmaceuticals Inc.\|Takeda	July 2010	Phase 1\|Phase 2
NCT01046916	Completed	Prostate Cancer	Millennium Pharmaceuticals Inc.	May 2010	Phase 2

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