4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile

Base Information

• Chemical Name: 4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile
• CAS No.: 1665195-94-7
• Molecular Formula: C₂₀H₁₉N₇
• Molecular Weight: 357.418
• Mol file: 1665195-94-7.mol

Synonyms:4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile;BAZ2-ICR

Chemical Property of 4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile

Chemical Property:

• Boiling Point: 632.8±55.0 °C(Predicted)
• PKA: 4.29±0.61(Predicted)
• Density: 1.26±0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

BAZ2-ICR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: BAZ2A/B are bromodomain-containing proteins whose biological function, while not yet confirmed, is believed to function similarly to ACF1, the Drosophila BAZ2B ortholog. ACF complexes play roles in establishing regular nucleosome spacing during chromatin assembly and influencing different remodeling outcomes at target loci. A rare allele of BAZ2B has been identified to be a predictor of Sudden Cardiac Death. BAZ2-ICR is a small molecule inhibitor of BAZ2A (Kd = 109 nM; IC50 = 130 nM) and BAZ2B (Kd = 170 nM; IC50 = 180 nM) bromodomains. It demonstrates 15-fold selectivity for binding BAZ2A/B over CECR2 and >100-fold selectivity over all other bromodomains. BAZ2-ICR has been shown to displace BAZ2 bromodomains in living cells by demonstrating accelerated FRAP recovery at 1 μM in the BAZ2A FRAP assay. See the Structural Genomics Consortium (SGC) website for more information.
• Uses: BAZ2-ICR is a selective BAZ2 bromodomain inhibitor (IC50 values are 130 and 180 nM for BAZ2A and BAZ2B respectively). Exhibits 15-fold selectivity for the BAZ2 bromodomain over the CERC2 bromodomain and >100-fold selectivity over a range of other bromodomains. Accelerates FRAP recovery in a BAZ2A FRAP assay.

Technology Process of 4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile

There total 4 articles about 4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile 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: 45.0%

4-(4-bromo-1-(2-(1-methyl-1H-pyrazol-4-yl)ethyl)-1H-imidazol-5-yl)benzonitrile + 1-methyl-4-tributylstannanyl-1H-pyrazole (179055-21-1) → 4-(4-(1-methyl-1H-pyrazol-4-yl)-1-(2-(1-methyl-1H-pyrazol-4-yl)ethyl)-1H-imidazol-5-yl)benzonitrile (1665195-94-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 150 ℃; for 1.5h; Microwave irradiation;

DOI:10.1021/jm501963e

Reference yield:

4-cyanobenzaldehyde (105-07-7) → 4-(4-(1-methyl-1H-pyrazol-4-yl)-1-(2-(1-methyl-1H-pyrazol-4-yl)ethyl)-1H-imidazol-5-yl)benzonitrile (1665195-94-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / ethanol / 4 h / Reflux

1.2: 22.5 h / 95 °C

2.1: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione / N,N-dimethyl-formamide / 24 h / 0 - 20 °C

3.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane / 1.5 h / 150 °C / Microwave irradiation

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; acetic acid; In 1,4-dioxane; ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm501963e

Reference yield:

4-(1-(2-(1-methyl-1H-pyrazol-4-yl)ethyl)-1H-imidazol-5-yl)benzonitrile → 4-(4-(1-methyl-1H-pyrazol-4-yl)-1-(2-(1-methyl-1H-pyrazol-4-yl)ethyl)-1H-imidazol-5-yl)benzonitrile (1665195-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione / N,N-dimethyl-formamide / 24 h / 0 - 20 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane / 1.5 h / 150 °C / Microwave irradiation

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/jm501963e

upstream raw materials:

4-cyanobenzaldehyde

2-(1-methyl-1H-pyrazol-4-yl)ethanamine

1-methyl-4-tributylstannanyl-1H-pyrazole

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