N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

Base Information

• Chemical Name: N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
• CAS No.: 1801787-56-3
• Molecular Formula: C29H32F3N5O3
• Molecular Weight: 555.59
• Mol file: 1801787-56-3.mol

Synonyms:N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

Chemical Property of N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

Chemical Property:

• Boiling Point: 693.0±55.0 °C(Predicted)
• PKA: 8.84±0.10(Predicted)
• PSA: 80.91000
• Density: 1.325±0.06 g/cm3(Predicted)
• LogP: 3.91080
• Storage Temp.: 2-8°C
• Solubility.: insoluble in EtOH; insoluble in H2O; ≥21.52 mg/mL in DMSO

Purity/Quality:

97% ^*data from raw suppliers

OICR-9429 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: OICR-9429 is a chemical probe which inhibits the interaction of WDR5 (WD-repeat Protein 5) with peptide regions of MLL and Histone 3 with high selectivity. WDR5 is a part of the mixed-lineage leukemia (MLL) transferase complex that targets histone 3.

Technology Process of N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

There total 14 articles about N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide 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: 72.0%

6-chloro-N-[4-(4-methylpiperazin-1-yl)-3'-morpholin-4-ylmethyl-biphenyl-3-yl]-4-trifluoromethylnicotinamide → 6-oxo-4-trifluoromethyl-1,6-dihydro-pyridine-3-carboxylic acid [4-(4-methyl-piperazin-1-yl)-3'-morpholin-4-ylmethyl-biphenyl-3-yl]-amide (1801787-56-3)

Guidance literature:

With hydrogenchloride; water; at 120 ℃;

DOI:10.1016/j.chempr.2018.02.002

Reference yield: 26.0%

N-(5-bromo-2-(4-methylpiperazin-1-yl)phenyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide → 6-oxo-4-trifluoromethyl-1,6-dihydro-pyridine-3-carboxylic acid [4-(4-methyl-piperazin-1-yl)-3'-morpholin-4-ylmethyl-biphenyl-3-yl]-amide (1801787-56-3)

Guidance literature:

With chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); sodium carbonate; XPhos; In 1,4-dioxane; water; at 120 ℃; for 1h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.jmedchem.5b01630

Reference yield: 8.91%

4-(4-methylpiperazin-1-yl)-3’-(morpholinomethyl)-[1,1‘-biphenyl]-3-amine + 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid (261635-77-2) → 6-oxo-4-trifluoromethyl-1,6-dihydro-pyridine-3-carboxylic acid [4-(4-methyl-piperazin-1-yl)-3'-morpholin-4-ylmethyl-biphenyl-3-yl]-amide (1801787-56-3)

Guidance literature:

6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid; With thionyl chloride; at 70 ℃; for 2h;

4-(4-methylpiperazin-1-yl)-3’-(morpholinomethyl)-[1,1‘-biphenyl]-3-amine; With pyridine; In dichloromethane; for 72h;

upstream raw materials:

6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylic acid

4-Bromo-1-fluoro-2-nitrobenzene

5-bromo-2-(4-methyl-piperazin-1-yl)-phenylamine

5-bromo-2-(4-methylpiperazin-1-yl)nitrobenzene