1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea

Base Information

• Chemical Name: 1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea
• CAS No.: 1342276-76-9
• Molecular Formula: C17H16N4O2S
• Molecular Weight: 340.406
• Mol file: 1342276-76-9.mol

Synonyms:1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea;RKI-1313;RKI-1313 (Negative control of RKI-1447)

Chemical Property of 1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea

Chemical Property:

• PKA: 6.38±0.70(Predicted)
• PSA: 104.38000
• Density: 1.323±0.06 g/cm3(Predicted)
• LogP: 3.99930

Purity/Quality:

97% ^*data from raw suppliers

RKI-1313 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: RKI-1313 is an inhibitor of Rho-associated kinase 1 (ROCK1) and 2 (IC50s = 34 and 8 μM, respectively). It has been used as a negative control for the ROCK inhibitor RKI-1447 .

Technology Process of 1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea

There total 4 articles about 1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea 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: 63.0%

3-METHOXYBENZYLAMINE (5071-96-5) + phenyl 4-(pyridin-4-yl)thiazol-2-ylcarbamate (1342277-18-2) → 1-(3-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea (1342276-76-9)

Guidance literature:

In tetrahydrofuran; at 100 ℃; for 0.366667h; under 11377.6 Torr; CEM microwave;

Reference yield: 52.0%

4-pyridin-4-yl-thiazol-2-ylamine (30235-28-0) + 1-(isocyanatomethyl)-3-methoxybenzene (57198-56-8) → 1-(3-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea (1342276-76-9)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 150 ℃; for 0.333333h; Biotage microwave;

Reference yield:

4-bromoacetylpyridine hydrobromide (5349-17-7) → 1-(3-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea (1342276-76-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 0.5 h / 100 °C / Biotage microwave

2: 1-methyl-pyrrolidin-2-one / 0.33 h / 150 °C / Biotage microwave

In 1-methyl-pyrrolidin-2-one; ethanol;

upstream raw materials:

3-METHOXYBENZYLAMINE

phenyl 4-(pyridin-4-yl)thiazol-2-ylcarbamate

4-bromoacetylpyridine hydrobromide

4-pyridin-4-yl-thiazol-2-ylamine

Downstream raw materials:

1-(3-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea methanesulfonate

1-(3-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea hydrochloride

1-(3-hydroxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea

1-(3-hydroxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea hydrochloride