Pluripotin

Base Information

• Chemical Name: Pluripotin
• CAS No.: 839707-37-8
• Molecular Formula: C₂₇H₂₅F₃N₈O₂
• Molecular Weight: 550.543
• Hs Code.: 2933399990
• European Community (EC) Number: 804-647-7
• ChEMBL ID: CHEMBL4213673
• Nikkaji Number: J2.395.382J
• Mol file: 839707-37-8.mol

Synonyms:pluripotin;SC1 compound

Chemical Property of Pluripotin

Chemical Property:

• PSA: 108.28000
• Density: 1.43
• LogP: 5.69400
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble10mg/mL (clear solution)
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 550.20525656
• Heavy Atom Count: 40
• Complexity: 925

Purity/Quality:

99%, ^*data from raw suppliers

Pluripotin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CC(=NN5C)C
• Uses: Pluripotin is a dual inhibitor of extracellular signal-regulated kinase 1 (ERK1, MAPK3) and RasGAP. Pluripotin has been shown to maintain embryonic stem cell (ESC) self-renewal. When combined with leukemia inhibitory factor, Pluripotin greatly promotes derivation of embryonic stem cell lines from refractory strains.

Technology Process of Pluripotin

There total 6 articles about Pluripotin 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:

2-chloro-N-methyl-5-(((2-methyl-5-nitrophenyl)amino)methyl)pyrimidin-4-amine → N-(3-(7-((1,3-dimethyl-1H-pyrazol-5-yl)amino)-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide (839707-37-8)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / tetrahydrofuran / 1 h / 0 - 70 °C / Inert atmosphere

2: iron; ammonium chloride / methanol; tetrahydrofuran; water / 2 h / 80 °C / Inert atmosphere

3: potassium carbonate / dichloromethane / 1 h / 20 °C / Inert atmosphere

4: potassium carbonate; XPhos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / iso-butanol / 1 h / 100 °C / Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; potassium carbonate; ammonium chloride; triethylamine; XPhos; In tetrahydrofuran; methanol; dichloromethane; water; iso-butanol;

DOI:10.1021/acs.jmedchem.8b00882

Reference yield:

2,4-dichloro-5-(chloromethyl)pyrimidine (7627-38-5) → N-(3-(7-((1,3-dimethyl-1H-pyrazol-5-yl)amino)-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide (839707-37-8)

Guidance literature:

Multi-step reaction with 6 steps

1: sodium iodide; potassium carbonate / acetone / 10 h / 50 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; methanol / 1.5 h / 60 °C / Inert atmosphere

3: triethylamine / tetrahydrofuran / 1 h / 0 - 70 °C / Inert atmosphere

4: iron; ammonium chloride / methanol; tetrahydrofuran; water / 2 h / 80 °C / Inert atmosphere

5: potassium carbonate / dichloromethane / 1 h / 20 °C / Inert atmosphere

6: potassium carbonate; XPhos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / iso-butanol / 1 h / 100 °C / Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; potassium carbonate; ammonium chloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium iodide; XPhos; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; acetone; iso-butanol;

DOI:10.1021/acs.jmedchem.8b00882

Reference yield:

5-(hydroxymethyl)pyrimidine-2,4-diol (4433-40-3) → N-(3-(7-((1,3-dimethyl-1H-pyrazol-5-yl)amino)-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide (839707-37-8)

Guidance literature:

Multi-step reaction with 7 steps

1: N-ethyl-N,N-diisopropylamine; trichlorophosphate / toluene / 1 h / 0 - 110 °C / Inert atmosphere

2: sodium iodide; potassium carbonate / acetone / 10 h / 50 °C / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; methanol / 1.5 h / 60 °C / Inert atmosphere

4: triethylamine / tetrahydrofuran / 1 h / 0 - 70 °C / Inert atmosphere

5: iron; ammonium chloride / methanol; tetrahydrofuran; water / 2 h / 80 °C / Inert atmosphere

6: potassium carbonate / dichloromethane / 1 h / 20 °C / Inert atmosphere

7: potassium carbonate; XPhos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / iso-butanol / 1 h / 100 °C / Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; iron; potassium carbonate; ammonium chloride; triethylamine; N-ethyl-N,N-diisopropylamine; sodium iodide; XPhos; trichlorophosphate; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; acetone; toluene; iso-butanol;

DOI:10.1021/acs.jmedchem.8b00882

upstream raw materials:

5-(hydroxymethyl)pyrimidine-2,4-diol

2,4-dichloro-5-(chloromethyl)pyrimidine

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