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Crystals of anilinopyrimidine compound with indole substituted by trifluoroethyl group and salts thereof

A compound and crystallization technology, applied in the field of medicinal chemistry, can solve problems such as the reduction of the binding rate between TKI and kinase domain

Active Publication Date: 2018-05-01
INVENTISBIO CO LTD +1
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

The latest research shows that the affinity of L858R combined with T790M mutation to ATP is stronger than that of L858R alone, and TKI is an ATP competitive kinase inhibitor, which leads to a decrease in the binding rate of TKI to the kinase domain

Method used

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  • Crystals of anilinopyrimidine compound with indole substituted by trifluoroethyl group and salts thereof
  • Crystals of anilinopyrimidine compound with indole substituted by trifluoroethyl group and salts thereof
  • Crystals of anilinopyrimidine compound with indole substituted by trifluoroethyl group and salts thereof

Examples

Experimental program
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Embodiment 1

[0148] Compound shown in embodiment 1 amorphous formula I

[0149]

[0150] The compound shown in Formula 2 (18.9g, 0.037mol), DIEA (9.6g, 0.074mol) and DCM (400mL) were added to a 1L three-necked flask, stirred and dissolved by magnetic force, the air in the system was replaced with nitrogen, and the temperature of the reaction solution was cooled to -20 At ~-10°C, add acryloyl chloride (3.4g, 0.037mol) dropwise. After the dropwise addition, react at -20~-10°C for 20min. After the reaction was completed, water (300 mL) was added to the reaction system for liquid separation, and the organic phase was dried with saturated brine (200 mL*2), anhydrous sodium sulfate, filtered with suction, and the filtrate was concentrated to obtain a residue purified by column chromatography (DCM / MeOH =50 / 1~20 / 1) to obtain the compound represented by compound formula I (10.0 g, 47.6%).

[0151] Compound crystal A shown in embodiment 2 formula I

[0152] Add the product obtained in Example 1...

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Abstract

The invention provides crystals of an anilinopyrimidine compound with indole substituted by a trifluoroethyl group and salts thereof, wherein the anilinopyrimidine compound is used as an EGFR inhibitor. Specifically, the invention relates to a crystal of the compound as shown in a formula I which is described in the specification, a crystal of a monomesylate of the compound as shown in the formulaI or a dimesylate of the compound as shown in the formula I, and further relates to preparation methods for the crystals, crystal compositions containing the crystals, and pharmaceutical compositionscontaining the crystals or the crystal compositions and medical application thereof. The crystals provided by the invention have the advantages of high purity, high crystallization degree, good stability, etc.

Description

technical field [0001] The application belongs to the field of medicinal chemistry, specifically, the application relates to a crystal of aniline pyrimidine compound (I) and a salt thereof substituted with trifluoroethyl indole. Background technique [0002] EGFR (Epidermal Growth Factor Receptor) is a receptor for epidermal growth factor (EGF) cell proliferation and signal transduction, also known as HER1, ErbB1. EGFR belongs to the ErbB receptor family, which includes EGFR (ErbB-1), HER2 / c-neu (ErbB-2), HER3 (ErbB-3) and HER4 (ErbB-4). EGFR is a glycoprotein, which belongs to the tyrosine kinase type receptor, and the cell membrane runs through, with a molecular weight of 170KDa. [0003] EGFR is located on the surface of the cell membrane and is activated by binding to ligands, including EGF and TGFα. After activation, EGFR is converted from a monomer to a dimer. The dimer includes both the association of two homologous receptor molecules (homodimerization) and the asso...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): C07D403/04A61K31/506A61P35/00
CPCC07D403/04C07B2200/13C07C309/04C07C303/32A61P35/00A61P35/02
Inventor 王路路汤剑秋朱益忠刘飞朱岩张传玉杨利民
Owner INVENTISBIO CO LTD
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