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Compound B11 used as histone methyltransferase NSD3 activity inhibitor and application thereof

A methyltransferase and activity inhibitor technology, applied in the field of medicine, can solve the problems of less research and achieve good NSD3 enzyme inhibitory effect

Active Publication Date: 2018-12-21
普美瑞(常州)生物科技有限公司
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Problems solved by technology

However, in the research field of histone lysine methyltransferase inhibitors, most studies mainly focus on histone lysine methyltransferases such as EZH1 and EZH2, DOT1L, SETD7, EHMT1 and EHMT2. There are relatively few studies on histone methyltransferases that are closely related to the occurrence and development of human tumors

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  • Compound B11 used as histone methyltransferase NSD3 activity inhibitor and application thereof
  • Compound B11 used as histone methyltransferase NSD3 activity inhibitor and application thereof
  • Compound B11 used as histone methyltransferase NSD3 activity inhibitor and application thereof

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Embodiment Construction

[0016] In order to confirm the antitumor effect of the compound of the present invention, the present invention will be further described below in conjunction with the accompanying drawings and specific examples.

[0017] 1. Experimental method

[0018] 1.1 Receptor-based virtual screening

[0019] first use The protein preparation module Protein Preparation Wizard in the software package processes the crystal structure of NSD3 (PDB: 4YZ8). The ChemDiv database was preprocessed with Discovery Studio 2.5, including deduplication, removal of salt ions and inorganic substances, and structural standardization. use The LigPrep module in 9.0 generates probable ionization states and tautomers of compounds at pH = 7.4.

[0020] Before using the molecular docking method for virtual screening, it is first necessary to verify the effectiveness of the Glide docking method used, define the active site of NSD3, and set the center of mass of the ligand molecule S-adenosyl methionine (S...

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Abstract

The invention discloses a compound B11 used as a histone methyltransferase NSD3 activity inhibitor and pharmaceutical application thereof. The compound has a chemical structure shown as a formula I: the formula I is shown in the following description; a chemical name is N-(1,3-dioxoisoindolin-4-yl)-4-phenoxybenzamide; the pharmaceutical application is that at least one of the compound B11 or hydrate thereof, pharmaceutically acceptable salts, a tautomer, a stereoisomer and a precursor compound is used as an active component to be used for preparing an anti-tumor medicine. The compound B11 provided by the invention can be used for effectively inhibiting the NSD3 enzymatic activity and an enzymology level IC50 value is 26.17+ / -4.75mu mol / L; the compound B11 has a good NSD3 enzymatic inhibition effect. The compound provided by the invention is used as an effective inhibitor of a tumor important target spot NSD3, is hopefully used as the active component to prepare the anti-tumor medicineand has a medicinal prospect.

Description

technical field [0001] The invention belongs to the technical field of medicine, and in particular relates to a histone methyltransferase NSD3 activity inhibitor and application thereof. Background technique [0002] Histone methylation is one of the most important modification mechanisms of epigenetic modification. The abnormal expression of histone methylation and its regulator histone methyltransferase is closely related to the occurrence of genetic diseases, autoimmune diseases, aging and cancer, especially in the occurrence and development of tumors. Therefore, histone methyltransferases are regarded as potential new targets for anti-tumor therapy. [0003] In recent years, breakthroughs have been made in the development of inhibitors targeting histone methyltransferases. Currently, the histone methyltransferase EZH2 inhibitor EPZ-6438 (Epizyme Company) entered phase I / II clinical trials in 2014 for the treatment of patients with non-Hodgkin's lymphoma, advanced solid...

Claims

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Application Information

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IPC IPC(8): C07D209/48A61P35/00
CPCA61P35/00C07D209/48
Inventor 孔韧朴莲花常珊张大为许磊
Owner 普美瑞(常州)生物科技有限公司
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