TAK-700

SKU: orb1301118

Description

Orteronel (TAK-700) is a highly selective 17,20-lyase inhibitor with an IC50 of 38 nM, showing >1000-fold selectivity over related CYPs. It has been investigated in clinical research, including Phase 3 trials, for conditions like prostate cancer, where it targets androgen biosynthesis in both in vitro and in vivo models.

Research Area

Metabolism Research

Key Properties

• CAS Number: 426219-18-3
• MW: 307.35
• Purity: 99.75% (May vary between batches)
• Formula: C₁₈H₁₇N₃O₂
• SMILES: OC1(C=2N(CC1)C=NC2)C3=CC4=C(C=C3)C=C(C(NC)=O)C=C4
• Target: Cytochromes P450
• Solubility: DMSO:57 mg/mL (185.46 mM);H2O:< 1 mg/mL (insoluble or slightly soluble);10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.25 mM);Ethanol:8 mg/mL (26.03 mM)

Bioactivity

• Target IC50:
  17, 20-lyase (human):38 nM
• In Vivo:
  In cynomolgus monkeys, oral treatment of TAK-700 at a dose of 1 mg/kg markedly reduces serum testosterone and dehydroepiandrosterone (DHEA) levels. Oral treatment of TAK-700 at a dose of 1 mg/kg results in favorable pharmacokinetic parameters with Tmax, Cmax, t1/2 and AUC0-24 hours of 1.7 hours, 0.147 μg/mL, 3.8 hours and 0.727 μg h/mL, respectively.
• In Vitro:
  In vitro, TAK-700 shows the 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 TAK-700. In microsomes expressing human CYP isoforms, TAK-700 exhibit greater inhibitory effects on 17,20-lyase with IC50 of 19 nM compared to the other CYP isoforms. TAK-700 shows the inhibitory activity against monkey 17,20-lyase and 17-hydroxylase with IC50 of 27 nM and 38 nM, respectively. In monkey adrenal cells, TAK-700 inhibits the ACTH stimulated production of DHEA and androstenedione with IC50 of 110 nM and 130 nM, respectively. Moreover, TAK-700 also potently inhibits DHEA production in human adrenocortical tumor line H295R cells with IC50 of 37 nM.

Storage & Handling

• Storage: Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

Orteronel, 17,20-lyase (Human), 17,20-lyase (Rat), (S/R)-Orteronel, TAK 700, TAK700, TAK-700

Compound Identifiers

PubChem CID

9883029