(2-(4-methylpiperazin-1-yl)pyridin-4-yl)boronic acid | 1003043-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2-(4-methylpiperazin-1-yl)pyridin-4-yl)boronic acid
• 英文别名: 2-(4-Methylpiperazin-1-yl)pyridin-4-ylboronic acid；[2-(4-methylpiperazin-1-yl)pyridin-4-yl]boronic acid
• CAS: 1003043-58-0
• 化学式: C₁₀H₁₆BN₃O₂
• 分子量: 221.067
• InChiKey: OHIQMSCWKOHFJR-UHFFFAOYSA-N

物化性质

• 沸点：
  444.9±55.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.49
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2-(4-methylpiperazin-1-yl)pyridin-4-yl)boronic acid 在 哌啶 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 40.0h， 生成 (Z)-5-((2-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)thiazol-4-yl)methylene)-2-thioxo thiazolidin-4-one
  参考文献：
  名称：

  Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase family

  摘要：

  The PIM family of serine/threonine kinases have become an attractive target for anti-cancer drug development, particularly for certain hematological malignancies. Here, we describe the discovery of a series of inhibitors of the PIM kinase family using a high throughput screening strategy. Through a combination of molecular modeling and optimization studies, the intrinsic potencies and molecular properties of this series of compounds was significantly improved. An excellent pan-PIM isoform inhibition profile was observed across the series, while optimized examples show good selectivity over other kinases. Two PIM-expressing leukemic cancer cell lines, MV4-11 and 1(562, were employed to evaluate the in vitro anti-proliferative effects of selected inhibitors. Encouraging activities were observed for many examples, with the best example (44) giving an IC55 of 0.75 mu M against the K562 cell line. These data provide a promising starting point for further development of this series as a new cancer therapy through PIM kinase inhibition. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2017.02.056

文献信息

• [EN] ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES<br/>[FR] BENZOPYRAZINES ANTICANCÉREUSES PAR LE BIAIS DE L'INHIBITION DE FGFR KINASES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2013061081A1

  公开（公告）日：2013-05-02

  The invention relates to new quinoxaline derivative compounds, to pharmaceutical compositions comprising said compounds, to processes for the preparation of said compounds and to the use of said compounds in the treatment of diseases, e.g. cancer.

  这项发明涉及新的喹啉衍生物化合物，包括含有该化合物的药物组合物，用于制备该化合物的方法以及该化合物在治疗疾病（例如癌症）中的用途。
• [EN] PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII<br/>[FR] MACROCYCLES PEPTIDIQUES CONTRE ACINETOBACTER BAUMANNII
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017072062A1

  公开（公告）日：2017-05-04

  The present invention provides compounds of formula (I) wherein X1 to X8 and R1 to R8 are as described herein, as well as pharmaceutically acceptable salts thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments for the treatment of diseases and infections caused by Acinetobacter baumannii.

  本发明提供了式（I）的化合物，其中X1至X8和R1至R8如本文所述，以及其药学上可接受的盐。此外，本发明涉及制备式（I）的化合物，包括它们的药物组合物以及它们作为治疗由鲍曼不动杆菌引起的疾病和感染的药物的用途。
• Uncharged nucleoside inhibitors of β-1,4-galactosyltransferase with activity in cells
  作者：Jingqian Jiang、Varsha Kanabar、Beatriz Padilla、Francis Man、Simon C. Pitchford、Clive P. Page、Gerd K. Wagner

  DOI：10.1039/c5cc09289b

  日期：——

  5-Substituted uridine derivatives are uncharged galactosyltransferase inhibitors that reduce PSGL-1 expression in human monocytes.

  5-取代尿苷衍生物是无电荷的半乳糖转移酶抑制剂，可以降低人单核细胞中PSGL-1的表达。
• SUBSTITUTED PHENYLALANINE DERIVATIVES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160244437A1

  公开（公告）日：2016-08-25

  The invention relates to substituted phenylalanine derivatives and to processes for preparation thereof, and to the use thereof for production of medicaments for the treatment and/or prophylaxis of diseases, especially of cardiovascular disorders and/or severe perioperative blood loss.

  本发明涉及取代苯丙氨酸衍生物及其制备方法，以及将其用于生产用于治疗和/或预防疾病的药物，特别是心血管疾病和/或严重围手术期失血的药物。
• [EN] SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES<br/>[FR] DÉRIVÉS DE SULFONAMIDE EN TANT QU'INHIBITEURS DE STAT3 POUR LE TRAITEMENT DE MALADIES PROLIFÉRANTES
  申请人：KING S COLLEGE LONDON

  公开号：WO2019030538A1

  公开（公告）日：2019-02-14

  The invention relates to derivatives of formula (I) where R1, R2, R3, R4, R5, X and m are as defined in the specification. These compounds which have therapeutic activity, in particular, as STAT3 inhibitors and so are useful in the treatment of proliferative diseases or conditions such as cancer. Methods for producing these compounds, novel intermediates used in the methods, pharmaceutical compositions containing them and their use in therapy form further aspects of the invention.

  该发明涉及到公式(I)的衍生物，其中R1、R2、R3、R4、R5、X和m的定义如规范中所述。这些化合物具有治疗活性，特别是作为STAT3抑制剂，在治疗增殖性疾病或状况，如癌症方面具有用途。制备这些化合物的方法，方法中使用的新型中间体，含有它们的药物组合物以及它们在治疗中的使用等方面也是该发明的进一步方面。