LY3214996

Base Information

• Chemical Name: LY3214996
• CAS No.: 1951483-29-6
• Molecular Formula: C₂₂H₂₇N₇O₂S
• Molecular Weight: 453.568
• Hs Code.: 2934999090
• Mol file: 1951483-29-6.mol

Synonyms:

Chemical Property of LY3214996

Chemical Property:

• Boiling Point: 711.5±70.0 °C(Predicted)
• PKA: 6.58±0.10(Predicted)
• Density: 1.43±0.1 g/cm3(Predicted)

Purity/Quality:

99%, ^*data from raw suppliers

LY3214996 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: LY3214996 is an inhibitor of ERK1 and ERK2 (IC50 = 5 nM for both). It inhibits cell proliferation of tumor cells in vitro, including those expressing B-RAF, N-Ras, or K-Ras mutations. LY3214996 inhibits tumor growth in B-RAF or N-Ras mutant melanoma, B-RAF or K-Ras mutant colorectal, lung, and pancreatic cancer mouse xenograft models, as well as patient-derived xenograft (PDX) mouse models.

Technology Process of LY3214996

There total 14 articles about LY3214996 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: 48.0%

2-(2-chloropyrimidin-4-yl)-6,6-dimethyl-5-(2-morpholinoethyl)thieno[2,3-c]pyrrol-4-one + 5-Amino-1-methylpyrazole (1192-21-8) → 6,6-dimethyl-2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-5-[2-(morpholin-4-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one (1951483-29-6)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 85 ℃; Solvent; Reagent/catalyst; Temperature;

Reference yield:

6,6-dimethylthieno[2,3-c]furan-4(6H)-one → 6,6-dimethyl-2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-5-[2-(morpholin-4-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one (1951483-29-6)

Guidance literature:

Multi-step reaction with 6 steps

1: ammonium hydroxide / 4 h / 200 °C / Autoclave

2: N-Bromosuccinimide / acetonitrile / 6 h / 10 - 25 °C

3: sodium hydroxide; tetra-(n-butyl)ammonium iodide / 1,4-dioxane; water / 1 h / 80 °C

4: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 90 °C / Inert atmosphere

5: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate / 1,4-dioxane; water / 1 h / 90 °C / Inert atmosphere

6: caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium diacetate / 1,4-dioxane / 90 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; ammonium hydroxide; N-Bromosuccinimide; potassium acetate; palladium diacetate; tetra-(n-butyl)ammonium iodide; potassium carbonate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium hydroxide; In 1,4-dioxane; water; acetonitrile;

Reference yield:

6,6-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one → 6,6-dimethyl-2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-5-[2-(morpholin-4-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one (1951483-29-6)

Guidance literature:

Multi-step reaction with 5 steps

1: N-Bromosuccinimide / acetonitrile / 6 h / 10 - 25 °C

2: sodium hydroxide; tetra-(n-butyl)ammonium iodide / 1,4-dioxane; water / 1 h / 80 °C

3: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 90 °C / Inert atmosphere

4: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate / 1,4-dioxane; water / 1 h / 90 °C / Inert atmosphere

5: caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium diacetate / 1,4-dioxane / 90 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; N-Bromosuccinimide; potassium acetate; palladium diacetate; tetra-(n-butyl)ammonium iodide; potassium carbonate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium hydroxide; In 1,4-dioxane; water; acetonitrile;

upstream raw materials:

2-bromo-6,6-dimethyl-5,6-dihydro-4H-thieno[2,3-c]pyrrol-4-one

3-Thiophene carboxylic acid

2-(morpholin-4-yl)ethanol

4-(2-bromoethyl)morpholine hydrobromide

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