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Crystal of aniline pyrimidine compound and salt thereof substituted by trifluoroethyl indole

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: 2021-11-02
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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  • Crystal of aniline pyrimidine compound and salt thereof substituted by trifluoroethyl indole
  • Crystal of aniline pyrimidine compound and salt thereof substituted by trifluoroethyl indole
  • Crystal of aniline pyrimidine compound and salt thereof substituted by trifluoroethyl indole

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0149] Example 1 Annex-type I

[0150]

[0151] The compound (18.9 g, 0.037 mol), DIEA (9.6 g, 0.074 mol), and DCM (400 mL) were added to 1 L of three flasks, magnetic stirred dissolved, nitrogen replacement system air, reaction liquid cooling to -20 ~ -10 ° C, acryloyl chloride (3.4 g, 0.037 mol) was added dropwise, and after the dropwise addition was completed, 20 min was reacted at -20 to -10 ° C. After the reaction was completed, water (300 mL) was added to the reaction system, and the organic phase was mixed with brine (200 mL * 2), dried over anhydrous sodium sulfate, filtrate, and filtrate concentrated residue was purified by column chromatography (DCM / MeOH) = 50 / 1 ~ 20 / 1) The compound (10.0 g, 47.6%) of the compound Formula I was obtained.

[0152] Example 2 Crystallization A shown in Formula I

[0153] Example 1 was added to the glass reaction bottle, a acetonitrile (2.5 mL), nitrogen protection, stirring at room temperature, 5 min, and then solidified, then solid pre...

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Abstract

The application belongs to the field of medicinal chemistry, and relates to the crystallization of a trifluoroethyl-substituted indole aniline pyrimidine compound and its salt as an EGFR inhibitor. Specifically, the application relates to the crystallization of the compound represented by formula I, the Monomethanesulfonate crystals of the compound represented by formula I or dimesylate crystals of the compound represented by formula I also relate to a preparation method for the crystals, a crystal composition containing the crystals, a pharmaceutical composition containing the crystals or a crystal composition thereof and their medicinal uses. The crystal of the present application has the advantages of high purity, high crystallinity, good stability and the like.

Description

Technical field [0001] The present application belongs to the field of pharmaceutical chemistry, in particular, the present application relates to a substituted indole-trifluoroethyl aniline pyrimidine compound (I) and crystalline salt. Background technique [0002] EGFR (Epidermal Growth Factor Receptor) is the epidermal growth factor (EGF) and cell proliferation signal transduction receptor, also referred to HER1, ErbB1. EGFR belongs to the ErbB receptor family, which families include EGFR (ErbB-1), HER2 / c-neu (ErbB-2), HER3 (ErbB-3), and HER4 (ErbB-4). EGFR is a glycoprotein belonging to the tyrosine kinase receptor, a cell membrane penetration, a molecular weight of 170KDa. [0003] EGFR is located in the cell membrane, by binding to ligand activation, including EGF and TGFa, activation, EGFR conversion from monomer to dimer. The dimer includes both isoforms bind two receptor molecules (homologous dimerization), including in combination different tyrosine kinase family memb...

Claims

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Application Information

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Patent Type & Authority Patents(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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