TAK-700

Alternative_name

6-(7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide; Orteronel
Description

TAK-700 is a potent and highly selective human 17,20-lyase inhibitor (IC₅₀ = 38 nM). Displays >1000-fold selectivity over other CYPs (e.g. 11-hydroxylase and CYP3A4). Displays antiandogen activity.
CAS Number

566939-85-3, 426219-18-3
Structure Available

Yes
Salt Form

No
Molecular Formula

C₁₈H₁₇N₃O₂
Molecular Weight

307.35
Cell Permeable

Yes
Purity

≥98% by HPLC
Solubilities

DMSO (>50 mg/ml)
Handling

Protect from air and light
Tag Line

A potent and highly selective human 17,20-lyase inhibitor
Storage Condition

-20°C
Shipping Condition

gel pack
Shelf Life

36 months
PubChem CID

9796590
PubChem CID Link
SMILES

CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
InChi

InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
InChi Key

OZPFIJIOIVJZMN-SFHVURJKSA-N
Data Sheet Link
MSDS Available

Yes