TAK-063

Base Information

• Chemical Name: TAK-063
• CAS No.: 1238697-26-1
• Molecular Formula: C₂₃H₁₇FN₆O₂
• Molecular Weight: 428.425
• Mol file: 1238697-26-1.mol

Synonyms:TAK-063

Chemical Property of TAK-063

Chemical Property:

• Boiling Point: 612.3±65.0 °C(Predicted)
• PKA: -0.34±0.12(Predicted)
• Density: 1.37±0.1 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

TAK-063 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: TAK-063 is a potent inhibitor of phosphodiesterase 10A (PDE10A; IC50 = 0.3 nM). It is >15,000-fold selective for PDE10A over other PDEs and exhibits <50% inhibition at 91 receptors, ion channels, and enzymes at a concentration of 10 μM. TAK-063 (0.3 mg/kg) increases cAMP and cGMP levels by 1.3- and 2.14-fold, respectively, in the striatum of mice. It reverses hyperlocomotion induced by PCP (Item Nos. 14276 | ISO60194) with a minimum effective dose (MED) of 0.3 mg/kg, p.o., in wild-type mice but has no effect in PDE10A knockout mice at doses up to 1 mg/kg. TAK-063 also reverses hyperlocomotion induced by (+)-MK-801 (MED = 0.1 mg/kg, p.o.) but has no effect on plasma prolactin or glucose levels in rats.

Technology Process of TAK-063

There total 8 articles about TAK-063 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

3-[3-(dimethylamino)prop-2-enoyl]-1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxypyridazin-4(1H)-one (1357191-82-2) + phenylhydrazine (100-63-0) → TAK-063 (1238697-26-1)

Guidance literature:

With acetic acid; at 20 - 30 ℃; for 4.6h; regioselective reaction; Inert atmosphere; Large scale;

DOI:10.1021/acs.oprd.8b00394

Reference yield: 49.0%

1-(2-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)hydrazineylidene)-3-methoxy-1-(1-phenyl-1H-pyrazol-5-yl)propan-2-one + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → TAK-063 (1238697-26-1)

Guidance literature:

In N,N-dimethyl acetamide; at 80 ℃; for 2h;

Reference yield: 44.0%

NH-pyrazole (288-13-1) + 1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (1238695-54-9) → TAK-063 (1238697-26-1)

Guidance literature:

With copper(I) oxide; salicylaldehyde-oxime; caesium carbonate; In acetonitrile; for 5h; Reflux; Inert atmosphere;

upstream raw materials:

NH-pyrazole

1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

1-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)propan-2-one

N,N-dimethyl-formamide dimethyl acetal

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