Cas no 839706-07-9 (GNF-7)

GNF-7 structure
GNF-7 structure
Product Name:GNF-7
CAS No:839706-07-9
MF:C28H24F3N7O2
MW:547.5310754776
MDL:MFCD18251569
CID:834129
Update Time:2024-10-26

GNF-7 Chemical and Physical Properties

Names and Identifiers

    • BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-
    • BENZAMIDE, N-[3-[1,4-DIHYDRO-1-METHYL-7-[(6-METHYL-3-PYRIDINYL)AMINO]-2-OXOPYRIMIDO[4,5-D]PYRIMIDIN-3(2H)-YL]-4-METHYLP...
    • BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]
    • GNF 7
    • GNF-7
    • N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
    • N-(4-Methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
    • N-[3-[1,4-Dihydro-1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)-benzamide
    • N-[3-[1,4-Dihydro-1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (ACI)
    • HG-4-34-01
    • MDL： MFCD18251569
    • Inchi： 1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
    • InChI Key： SZNYUUZOQHNEKB-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C(F)(F)F)C=CC=1)NC1C=C(N2CC3C(=NC(NC4C=CC(C)=NC=4)=NC=3)N(C)C2=O)C(C)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 7

GNF-7 Security Information

  • Signal Word：Danger
  • Hazard Statement： H301
  • Warning Statement： P301+P310
  • Hazardous Material transportation number：UN 2811 6.1 / PGIII
  • HazardClass：6.1
  • PackingGroup：Ⅲ
  • Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

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GNF-7 Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dichloromethane ;  1 h, rt
1.2 Reagents: Water
2.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 3

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
2.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
3.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 4

Reaction Conditions
1.1 Reagents: Ammonium chloride Catalysts: Iron Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  2 h, 80 °C; 80 °C → rt
2.1 Reagents: Potassium carbonate Solvents: Dichloromethane ;  1 h, rt
2.2 Reagents: Water
3.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  0 °C; 1 h, 70 °C
1.2 Reagents: Water
2.1 Reagents: Ammonium chloride Catalysts: Iron Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  2 h, 80 °C; 80 °C → rt
3.1 Reagents: Potassium carbonate Solvents: Dichloromethane ;  1 h, rt
3.2 Reagents: Water
4.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 6

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  overnight, rt
2.1 Reagents: Acetic acid ,  Sodium cyanoborohydride Solvents: Methanol ;  overnight, rt
3.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
4.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
5.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 7

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: Methanol ,  1,4-Dioxane ;  1.5 h, 60 °C; 60 °C → rt
1.2 Reagents: Water
2.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  0 °C; 1 h, 70 °C
2.2 Reagents: Water
3.1 Reagents: Ammonium chloride Catalysts: Iron Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  2 h, 80 °C; 80 °C → rt
4.1 Reagents: Potassium carbonate Solvents: Dichloromethane ;  1 h, rt
4.2 Reagents: Water
5.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 8

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  4 h, rt
2.1 Reagents: Acetic acid ,  Sodium cyanoborohydride Solvents: Methanol ;  overnight, rt
3.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
4.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
5.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 9

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 10

Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
2.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 11

Reaction Conditions
1.1 Reagents: Acetic acid ,  Sodium cyanoborohydride Solvents: Methanol ;  overnight, rt
2.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
3.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
4.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 12

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: Tetrahydrofuran ;  0 °C; 3 h, rt
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  4 h, rt
3.1 Reagents: Acetic acid ,  Sodium cyanoborohydride Solvents: Methanol ;  overnight, rt
4.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
5.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
6.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 13

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Sodium iodide Solvents: Acetone ;  10 h, 50 °C; 50 °C → rt
2.1 Reagents: Diisopropylethylamine Solvents: Methanol ,  1,4-Dioxane ;  1.5 h, 60 °C; 60 °C → rt
2.2 Reagents: Water
3.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  0 °C; 1 h, 70 °C
3.2 Reagents: Water
4.1 Reagents: Ammonium chloride Catalysts: Iron Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  2 h, 80 °C; 80 °C → rt
5.1 Reagents: Potassium carbonate Solvents: Dichloromethane ;  1 h, rt
5.2 Reagents: Water
6.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 14

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 2 h, rt
1.2 Reagents: Ammonium chloride Solvents: Water ;  30 min, rt
2.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  overnight, rt
3.1 Reagents: Acetic acid ,  Sodium cyanoborohydride Solvents: Methanol ;  overnight, rt
4.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
5.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
6.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

Production Method 15

Reaction Conditions
1.1 Reagents: Diisopropylethylamine ,  Phosphorus oxychloride Solvents: Toluene ;  0 °C; 1 h, 110 °C
2.1 Reagents: Potassium carbonate ,  Sodium iodide Solvents: Acetone ;  10 h, 50 °C; 50 °C → rt
3.1 Reagents: Diisopropylethylamine Solvents: Methanol ,  1,4-Dioxane ;  1.5 h, 60 °C; 60 °C → rt
3.2 Reagents: Water
4.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  0 °C; 1 h, 70 °C
4.2 Reagents: Water
5.1 Reagents: Ammonium chloride Catalysts: Iron Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  2 h, 80 °C; 80 °C → rt
6.1 Reagents: Potassium carbonate Solvents: Dichloromethane ;  1 h, rt
6.2 Reagents: Water
7.1 Reagents: Potassium carbonate Catalysts: Tris(dibenzylideneacetone)dipalladium ,  X-Phos Solvents: (±)-2-Butanol ;  rt; 1 h, 100 °C; 100 °C → rt
Reference
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

Production Method 16

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  0 °C; 1 h, rt
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 2 h, rt
2.2 Reagents: Ammonium chloride Solvents: Water ;  30 min, rt
3.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  overnight, rt
4.1 Reagents: Acetic acid ,  Sodium cyanoborohydride Solvents: Methanol ;  overnight, rt
5.1 Reagents: Diisopropylethylamine Solvents: 1,4-Dioxane ;  0 °C; 1 h, rt; 3 h, 110 °C
6.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ;  30 min, 0 °C; 3 h, rt
7.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  48 h, 120 °C
Reference
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

GNF-7 Raw materials

GNF-7 Preparation Products

GNF-7 Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:839706-07-9)GNF-7
Order Number:A864191
Stock Status:in Stock
Quantity:100mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:45
Price ($):225.0

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Amadis Chemical Company Limited
(CAS:839706-07-9)GNF-7
A864191
Purity:99%
Quantity:100mg
Price ($):225.0
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