Mutated EGFR-IN-1 Chemical Properties

Boiling point:

676.5±65.0 °C(Predicted)

Density 

1.21±0.1 g/cm3(Predicted)

storage temp. 

Store at -20°C

solubility 

DMSO: ≥ 75 mg/mL (168.33 mM)

pka

9.07±0.28(Predicted)

form 

Powder

Appearance

Off-white to gray Solid

InChIKey

HTNTZPBKKCORTP-UHFFFAOYSA-N

SMILES

C1(N(CCN(C)C)C)=CC(OC)=C(NC2=NC=CC(C3C4=C(N(C)C=3)C=CC=C4)=N2)C=C1N

Mutated EGFR-IN-1 Usage And Synthesis

Uses

N1-?[2-?(Dimethylamino)?ethyl]?-?5-?methoxy-?N1-?methyl-?N4-?[4-?(1-?methyl-?1H-?indol-?3-?yl)?-?2-?pyrimidinyl]?-?1,?2,?4-?benzenetriamine can be involved as reactant/reagent in "Schizophrenic" self-assembly of dual thermoresponsive block copolymers bearing a zwitterionic and a non-ionic hydrophilic block.

Synthesis

Under nitrogen protection, 28.5 g (0.060 mol) of N1-(2-(dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-(4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)-2-nitrobenzene-1,4-diamine was added to 500 mL of methanol with 2.5 g of palladium carbon catalyst. The reaction was stirred at 25 °C for 4 hours in a hydrogen atmosphere. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated to dryness under reduced pressure to afford 26 g of the brown solid product N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-1,2,4-benzenetriamine in 97.3% yield.

IC 50

EGFR^L858R; EGFR^{Exon 19 deletion/T790M}; EGFR^T790M

References

[1] Patent: CN107216313, 2017, A. Location in patent: Paragraph 0058; 0059; 0071; 0072
[2] Patent: CN108129342, 2018, A. Location in patent: Paragraph 0054; 0055; 0056
[3] Patent: CN107188888, 2017, A. Location in patent: Paragraph 0067-0069; 0070-0072
[4] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 5, p. 2898 - 2901
[5] Patent: CN107793413, 2018, A. Location in patent: Paragraph 0180; 0181; 0184; 0185

Mutated EGFR-IN-1(1421372-66-8)Related Product Information

• Osimertinib mesylate
• AZD-9291
• N-(4-fluoro-2-Methoxy-5-nitrophenyl)-4-(1-Methylindol-3-yl)pyriMidin-2-aMine
• 1,4-BenzenediaMine, N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]-2-nitro-