2-(4-broMo-2-chlorophenoxy)-N-(4-(N-(4,6-diMethylpyriMidin-2-yl)sulfaMoyl)phenylcarbaMothioyl)acetaMide

Base Information

• Chemical Name: 2-(4-broMo-2-chlorophenoxy)-N-(4-(N-(4,6-diMethylpyriMidin-2-yl)sulfaMoyl)phenylcarbaMothioyl)acetaMide
• CAS No.: 587841-73-4
• Molecular Formula: C21H19BrClN5O4S2
• Molecular Weight: 584.89366
• Mol file: 587841-73-4.mol

Synonyms:2-(4-broMo-2-chlorophenoxy)-N-(4-(N-(4,6-diMethylpyriMidin-2-yl)sulfaMoyl)phenylcarbaMothioyl)acetaMide;ZCL 278;2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide;2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide ZCL278;ZCL 278 2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide;ZCL278, >=98%

Chemical Property of 2-(4-broMo-2-chlorophenoxy)-N-(4-(N-(4,6-diMethylpyriMidin-2-yl)sulfaMoyl)phenylcarbaMothioyl)acetaMide

Chemical Property:

• PSA: 166.27000
• LogP: 6.26920
• Storage Temp.: +2C to +8C
• Solubility.: ≥29.25 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH

Purity/Quality:

97% ^*data from raw suppliers

ZCL 278 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: ZCL 278, is a selective inhibitor of Cdc42, and effectively inhibits EGF-stimulated Cdc42 activity including microspike formation in 3T3 fibroblasts and neuronal branching in primary neonatal cortical neurons.

Technology Process of 2-(4-broMo-2-chlorophenoxy)-N-(4-(N-(4,6-diMethylpyriMidin-2-yl)sulfaMoyl)phenylcarbaMothioyl)acetaMide

There total 5 articles about 2-(4-broMo-2-chlorophenoxy)-N-(4-(N-(4,6-diMethylpyriMidin-2-yl)sulfaMoyl)phenylcarbaMothioyl)acetaMide 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:

C8H5BrCl2O2 (110630-87-0) + sulfadimesine (57-68-1) + sodium thiocyanide (540-72-7) → 2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide (587841-73-4)

Guidance literature:

C₈H₅BrCl₂O₂; sodium thiocyanide; In acetone; at 0 - 30 ℃;

sulfadimesine; In acetone; at 0 - 20 ℃;

Reference yield:

ethyl 2-(4-bromo-2-chlorophenoxy)acetate (588679-10-1) → 2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide (587841-73-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide; water / 1,4-dioxane / 20 °C

2.1: thionyl chloride / N,N-dimethyl-formamide / 3 h / Reflux

3.1: acetone / 0 - 30 °C

3.2: 0 - 20 °C

With thionyl chloride; water; sodium hydroxide; In 1,4-dioxane; N,N-dimethyl-formamide; acetone;

Reference yield:

4-bromo-2-chlorophenol (3964-56-5) → 2-(4-Bromo-2-chlorophenoxy)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]acetamide (587841-73-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 70 °C

2.1: sodium hydroxide; water / 1,4-dioxane / 20 °C

3.1: thionyl chloride / N,N-dimethyl-formamide / 3 h / Reflux

4.1: acetone / 0 - 30 °C

4.2: 0 - 20 °C

With thionyl chloride; water; potassium carbonate; sodium hydroxide; In 1,4-dioxane; N,N-dimethyl-formamide; acetone;

upstream raw materials:

ethyl 2-(4-bromo-2-chlorophenoxy)acetate

C₈H₅BrCl₂O₂

sulfadimesine

sodium thiocyanide