1421372-66-8

Basic information

• Product Name: Mutated EGFR-IN-1
• Synonyms: Mutated EGFR-IN-1;HY-78869;AZD9291DA HCl salt;AZD9291 int-5;N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-1,2,4-benzenetriamine;N1-[2-(diMethylaMino)ethyl]-5-Methoxy-N1-Methyl-N4-[4-(1-Methyl-1H-indol-3-yl)-2-pyriMidinyl]benzene-1,2,4-triamine;1,2,4-Benzenetriamine, N1-[2-(dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-;AZD9291 intermediate 4
• CAS NO: 1421372-66-8
• Molecular Formula: C₂₅H₃₁N₇O
• Molecular Weight: 445.57
• Product Categories: AZD9291;Pharmaceutical intermediate
• Mol File: 1421372-66-8.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 676.5±65.0 °C(Predicted)
• Appearance: /
• Density: 1.21±0.1 g/cm3(Predicted)
• PKA: 9.07±0.28(Predicted)
• CAS DataBase Reference: Mutated EGFR-IN-1(CAS DataBase Reference)
• NIST Chemistry Reference: Mutated EGFR-IN-1(1421372-66-8)
• EPA Substance Registry System: Mutated EGFR-IN-1(1421372-66-8)

Safety Data

• Hazardous Substances Data: 1421372-66-8(Hazardous Substances Data)

Usage

Description

Mutated EGFR-IN-1, also known as N1-(2-(Dimethylamino)ethyl)-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-1,2,4-benzenetriamine, is a chemical compound with potential applications in various fields. It is characterized by its unique molecular structure, which allows it to interact with specific biological targets and exhibit specific properties.

Uses

Used in Pharmaceutical Industry:
Mutated EGFR-IN-1 is used as a reactant/reagent for the self-assembly of dual thermoresponsive block copolymers bearing a zwitterionic and a non-ionic hydrophilic block. This application is particularly relevant in the development of novel drug delivery systems and materials for the treatment of Schizophrenia.

Upstream product

• 954421-16-0 (2E)-3-(dimethylamino)-1-(1-methyl-1H-indol-3-yl)-2-propen-1-one 
• 142-25-6 N,N',N'-trimethylenediamine 
• 367-25-9 2,4-difluorophenylamine 
• 123344-02-5 5-amino-2,4-difluoronitrobenzene 
• 603-76-9 1-methylindole 
• 1443291-03-9 3-(dimethylamino)-1-(1-methyl-1H-indol-3-yl)prop-2-en-1-one 
• 19012-02-3 N-methyl-3-acetylindole 
• 703-80-0 3-acetylindole 
• 448-19-1 4-fluoro-2-methoxy-1-nitrobenzene 
• 450-91-9 4-fluoro-2-methoxyaniline 
• 120-72-9 indole 
• 945016-63-7 3-(2-chloro-pyrimidin-4-yl)-1H-indole 
• 1032452-86-0 2-chloro-4-(1'-methyl-1H-indol-3-yl)pyrimidine 

Downstream Products

• 1421373-65-0 [N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)propen-2-amide] 
• 1421373-66-1 N-(2-(N-(2-(dimethylamino)ethyl)-N-methylamino)-4-methoxy-5-((4-(1-methyl-1H-indole-3-yl)pyrimidine-2-yl)amino)phenyl)acrylamide methanesulfonate 
• 1421373-36-5 3-chloro-N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)propanamide 

Relevant articles and documents

Design, synthesis, SAR discussion, in?vitro and in?vivo evaluation of novel selective EGFR modulator to inhibit L858R/T790M double mutants

Based upon the modeling binding mode of marketed AZD9291 with T790M, a series of 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline derivatives were designed and synthesized with the purpose to overcome the drug resistance resulted from T790M/L858R double mutations. The most potent compound 8 showed excellent enzyme inhibitory activities and selectivity with sub nanomolar IC50 values for both the single L858R and double T790M/L858R mutant EGFRs, and was more than 8-fold selective for wild type EGFR. Compound 8 exhibited good microsomes stabilities and pharmacokinetic properties and lower binding affinity to hERG ion channel than AZD9291 and displayed strong antiproliferative activity against the H1975 non-small cell lung cancer (NSCLC) cells bearing T790M/L858R and in?vivo anticancer efficacy in a human NSCLC (H1975) xenograft mouse model.

Preparation method of osimertinib mesylate

The invention discloses a preparation method of osimertinib mesylate. 4-fluoro-2-methoxy-5-nitroaniline and 3-(2-chloro-4-pyrimidinyl)-1-methyl-1H-indole are subjected to a condensation reaction and then subjected to a nucleophilic substitution reaction with N, N-dimethylethylenediamine, a high-purity compound shown in the formula (6) is obtained through Eschweiler-Clarke amine reductive alkylation, water serves as a solvent, acetic acid and the like serve as a cosolvent, catalytic hydrogenation is performed, amidation reaction with acryloyl chloride is carried out to obtain high-purity osimertinib and salifying with methanesulfonic acid is carried out to obtain osimertinib mesylate, and compared with the patent CN103702990B, the method is simple and convenient to operate, less in environmental pollution, high in yield, low in cost, good in product quality and more suitable for industrial production.

Compound for inhibiting three-mutant epidermal growth factor receptor tyrosine kinase and application thereof

The invention discloses a compound for inhibiting three-mutant epidermal growth factor receptor tyrosine kinase, and is characterized in that the structural formula is as follows. Among them: Substituent R1 . One of: Substituent R2 . One of: The substituent X is H or Cl. Substituent R3 To H. One of the following.