(6-bromopyridin-3-yl)(4-methylpiperazin-1-yl)methanone | 866465-78-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (6-bromopyridin-3-yl)(4-methylpiperazin-1-yl)methanone
• 英文别名: (6-bromopyridin-3-yl)-(4-methylpiperazin-1-yl)methanone
• CAS: 866465-78-3
• 化学式: C₁₁H₁₄BrN₃O
• 分子量: 284.156
• InChiKey: BHXCMXMZNCPOID-UHFFFAOYSA-N

物化性质

• 沸点：
  409.5±45.0 °C(Predicted)
• 密度：
  1.457±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  36.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (6-bromopyridin-3-yl)(4-methylpiperazin-1-yl)methanone 、 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-iodothieno[3,2-b]pyridine-6-carbonitrile 在 四(三苯基膦)钯 、 六甲基二锡 作用下， 以 1,4-二氧六环 为溶剂， 生成 Thieno[3,2-b]-pyridine-6-carbonitrile 18
  参考文献：
  名称：

  Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles

  摘要：

  7-[(2,4-Dichloro-5-methoxyphenyl)aminolthieno[3,2-b]pyridine-6-carbonitriles with various heteroaryl groups at C-2 are inhibitors of Src kinase activity. Of these new analogs, compounds substituted at C-2 by a 3,5-furan or a 2,5-pyridine had the best activity in the Src enzyme and cell assays. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.061
• 作为产物：
  描述：

  2-溴-5-甲基吡啶 在 potassium permanganate 、 甲基三辛基氯化铵 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 (6-bromopyridin-3-yl)(4-methylpiperazin-1-yl)methanone
  参考文献：
  名称：

  Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles

  摘要：

  7-[(2,4-Dichloro-5-methoxyphenyl)aminolthieno[3,2-b]pyridine-6-carbonitriles with various heteroaryl groups at C-2 are inhibitors of Src kinase activity. Of these new analogs, compounds substituted at C-2 by a 3,5-furan or a 2,5-pyridine had the best activity in the Src enzyme and cell assays. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.061

文献信息

• [EN] SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF<br/>[FR] BENZOFURANYLES ET BENZOXAZOLYLES SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：KARYOPHARM THERAPEUTICS INC

  公开号：WO2015003166A1

  公开（公告）日：2015-01-08

  The invention generally relates to substituted benzofuranyl and substituted benzoxazolyl compounds, and more particularly to a compound represented by Structural Formula (A) : or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula (A), or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of cancer (e.g., mantle cell lymphoma), and other diseases and disorders.

  这项发明通常涉及取代苯并呋喃基和取代苯并噁唑基化合物，更具体地涉及一种由结构式（A）表示的化合物：或其药学上可接受的盐，其中变量如本文所定义和描述。该发明还包括合成和使用结构式（A）的化合物，或其药学上可接受的盐或组合物，例如，在癌症（例如，外套细胞淋巴瘤）和其他疾病和疾病的治疗中。
• Substituted benzofuranyl and benzoxazolyl compounds and uses thereof
  申请人：Karyopharm Therapeutics Inc.

  公开号：US10399963B2

  公开（公告）日：2019-09-03

  The invention generally relates to substituted benzofuranyl and substituted benzoxazolyl compounds, and more particularly to a compound represented by Structural Formula A: or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula A, or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of cancer (e.g., mantle cell lymphoma), and other diseases and disorders.

  本发明一般涉及取代的苯并呋喃基和取代的苯并恶唑基化合物，特别是结构式 A 所代表的化合物： 或其药学上可接受的盐，其中变量如本文所定义和描述。本发明还包括结构式A化合物或其药学上可接受的盐或组合物的合成和使用，例如用于治疗癌症（如套细胞淋巴瘤）和其它疾病和失调。
• SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF
  申请人：Karyopharm Therapeutics, Inc.

  公开号：EP3016946A1

  公开（公告）日：2016-05-11
• US9856241B2
  申请人：——

  公开号：US9856241B2

  公开（公告）日：2018-01-02
• Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles
  作者：Diane H. Boschelli、Biqi Wu、Ana Carolina Barrios Sosa、Joan J. Chen、Jennifer M. Golas、Frank Boschelli

  DOI：10.1016/j.bmcl.2005.07.061

  日期：2005.11

  7-[(2,4-Dichloro-5-methoxyphenyl)aminolthieno[3,2-b]pyridine-6-carbonitriles with various heteroaryl groups at C-2 are inhibitors of Src kinase activity. Of these new analogs, compounds substituted at C-2 by a 3,5-furan or a 2,5-pyridine had the best activity in the Src enzyme and cell assays. (c) 2005 Elsevier Ltd. All rights reserved.