GNE-9605

Base Information

• Chemical Name: GNE-9605
• CAS No.: 1536200-31-3
• Molecular Formula: C17H20ClF4N7O
• Molecular Weight: 449.83
• Mol file: 1536200-31-3.mol

Synonyms:GNE-9605;N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;rel-N2-[5-Chloro-1-[(3R,4R)-3-fluoro-1-(3-oxetanyl)-4-piperidinyl]-1H-pyrazol-4-yl]-N4-methyl-5-(trifluoromethyl)-2,4-pyrimidinediamine

Chemical Property of GNE-9605

Chemical Property:

• Boiling Point: 587.9±60.0 °C(Predicted)
• PKA: 5.04±0.60(Predicted)
• PSA: 80.13000
• Density: 1.67±0.1 g/cm3(Predicted)
• LogP: 3.19820
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: ≥22.5 mg/mL in DMSO

Purity/Quality:

99%, ^*data from raw suppliers

GNE-9605 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: GNE-9065 is an orally bioavailable and potent inhibitor of leucine-rich repeat kinase 2 (LRRK2; IC50 = 18.7 nM). It is selective for LRRK2 over 178 kinases, inhibiting only TAK1-TAB1 >50% at a concentration of 0.1 μM. GNE-9065 (10 and 50 mg/kg) inhibits LRRK2 Ser1292 autophosphorylation in BAC transgenic mice expressing human LRRK2 protein with the G2019S mutation found in families with autosomal Parkinson’s disease.

Technology Process of GNE-9605

There total 7 articles about GNE-9605 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:

2-chloro-N-methyl-5-(trifluoromethyl)pyrimidine-4-amine (515824-43-8) + (±)-(trans)-4-(5-chloro-4-amino-pyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine → N2-(5-chloro-1-((trans)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (1536200-31-3)

Guidance literature:

With trifluoroacetic acid; In 2-methoxy-ethanol; at 90 ℃; for 0.25h;

DOI:10.1021/jm401654j

Reference yield:

(syn)-3-fluoro-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester (955029-44-4) → N2-(5-chloro-1-((trans)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (1536200-31-3)

Guidance literature:

Multi-step reaction with 6 steps

1.1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 20 h / 0 - 30 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

3.1: zinc(II) chloride; sodium cyanoborohydride / methanol / 20 h / 0 - 30 °C

4.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere

4.2: 2 h / -70 - 20 °C / Inert atmosphere

5.1: iron; ammonium chloride / ethanol / 0.5 h / 90 °C

6.1: trifluoroacetic acid / 2-methoxy-ethanol / 0.25 h / 90 °C

With di-isopropyl azodicarboxylate; iron; sodium cyanoborohydride; ammonium chloride; triphenylphosphine; trifluoroacetic acid; zinc(II) chloride; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; ethanol; dichloromethane; 2-methoxy-ethanol;

DOI:10.1021/jm401654j

Reference yield:

C13H19FN4O4 → N2-(5-chloro-1-((trans)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (1536200-31-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

2.1: zinc(II) chloride; sodium cyanoborohydride / methanol / 20 h / 0 - 30 °C

3.1: lithium hexamethyldisilazane / tetrahydrofuran / 2 h / -70 °C / Inert atmosphere

3.2: 2 h / -70 - 20 °C / Inert atmosphere

4.1: iron; ammonium chloride / ethanol / 0.5 h / 90 °C

5.1: trifluoroacetic acid / 2-methoxy-ethanol / 0.25 h / 90 °C

With iron; sodium cyanoborohydride; ammonium chloride; trifluoroacetic acid; zinc(II) chloride; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; ethanol; dichloromethane; 2-methoxy-ethanol;

DOI:10.1021/jm401654j

upstream raw materials:

(syn)-3-fluoro-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

2-chloro-N-methyl-5-(trifluoromethyl)pyrimidine-4-amine

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