Orteronel

Also known as: TAK-700, 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthamide, 2-Naphthalenecarboxamide, 6-[(7S)-6,7-dihydro-7-hydroxy-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-, 6-[(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthalenecarboxamide

Orteronel (CAS 566939-85-3) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C18H17N3O2 and a molecular weight of 307.346 g/mol. Key properties include a boiling point of 685.1±45.0 °C at 760 mmHg, a density of 1.4±0.1 g/cm3 and a flash point of 368.2±28.7 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 566939-85-3
Jingsj CID: J-1957794-2
Molecular Formula: C₁₈H₁₇N₃O₂
Molecular Weight: 307.346 g/mol
Category: Pharma Intermediates
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	685.1±45.0 °C at 760 mmHg
Density	1.4±0.1 g/cm3
Flash Point	368.2±28.7 °C
Exact Mass	307.132080
PSA	67.15000
LogP	-0.13
Vapor Pressure	0.0±2.2 mmHg at 25°C
Refractive Index	1.695
Storage Conditions	2-8℃

Activity & Biological Data

Target	IC50: 38 nM (human 17,20-lyase), 54 nM (rat 17,20-lyase)
Additional Information	[1]. Yamaoka M, et al. Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys.J Steroid Biochem Mol Biol. 2012 Apr;129(3-5):115-28. [2]. Kaku, Tomohiro., et al. Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. From Bioorganic & Medicinal Chemistry (2011), 19(21), 6

Target

IC50: 38 nM (human 17,20-lyase), 54 nM (rat 17,20-lyase)

Additional Information

[1]. Yamaoka M, et al. Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys.J Steroid Biochem Mol Biol. 2012 Apr;129(3-5):115-28. [2]. Kaku, Tomohiro., et al. Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. From Bioorganic & Medicinal Chemistry (2011), 19(21), 6

Frequently Asked Questions

What is the CAS number of Orteronel?

The CAS number of Orteronel is 566939-85-3.

What are the molecular formula and molecular weight of Orteronel?

Orteronel has molecular formula C18H17N3O2 and molecular weight 307.346 g/mol.

What are the upstream and downstream products of Orteronel?

For Orteronel, Upstream Products: Orteronel, 6-Bromo-2-naphthoic acid, 6-Bromo-N-methyl-2-naphthalenecarboxamide.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "Orteronel (CAS 566939-85-3)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1957794-2 (accessed 2026-11-06).

Data for reference only; verify product details with suppliers before purchase.