4-chloro-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine | 1313714-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 4-chloro-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
• 英文别名: 4-chloro-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine
• CAS: 1313714-51-0
• 化学式: C₁₅H₁₃ClN₂O
• 分子量: 272.734
• InChiKey: LMHVGTYIKVXNMR-UHFFFAOYSA-N

物化性质

• 沸点：
  440.4±40.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-呋喃硼酸 、 4-chloro-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine 在 potassium fluoride 、 二(三叔丁基膦)钯 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以90%的产率得到4-(furan-2-yl)-1-(4-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine
  参考文献：
  名称：

  Synthesis and antimycobacterial activities of non-purine analogs of 6-aryl-9-benzylpurines: Imidazopyridines, pyrrolopyridines, benzimidazoles, and indoles

  摘要：

  6,9-Disubstituted purines and 7-deazapurines are known to be powerful inhibitors of Mycobacterium tuberculosis (Mtb) in vitro. Analogs modified in the six-membered ring (imidazopyridines, pyrrolopyridines, benzimidazoles, and indoles) were synthesized and evaluated as Mtb inhibitors. The targets were prepared by functionalization on the bicyclic heterocycle or from simple pyridines. The results reported herein, indicate that the purine N-1, but not N-3, is important for binding to the unknown target. The 3-deazapurines appears to be slightly more active compared to the parent purines and slightly less active than their 7-deazapurine isomers. Removal of both the purine N-3 and N-7 did not result in further enhanced antimycobacterial activity but the toxicity towards mammalian cells was increased. Both 3-deaza and 3,7-dideazapurines exhibited a modest activity against of the Mtb isolate in the state of non-replicating persistence. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.04.023
• 作为产物：
  描述：

  4-氯-7-氮杂吲哚 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-chloro-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
  参考文献：
  名称：

  室温下7-氮杂吲哚的位点选择性分子间氧化C-3烯基化

  摘要：

  在Pd（OAc）2作为催化剂，PPh 3作为配体，Cu（OTf）2作为氧化助催化剂和分子氧（已经报道了在室温下将O 2）用作末端氧化剂。这种直接的烯基化策略为功能化重要的7-氮杂吲哚提供了新的途径。

  DOI：

  10.1021/acs.orglett.5b03429

文献信息

• [EN] COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：MEDIVATION TECHNOLOGIES INC

  公开号：WO2015103355A1

  公开（公告）日：2015-07-09

  This disclosure provides compounds and compositions and methods of using those compounds and compositions to treat diseases and disorders associated with excessive transforming growth factor-beta (TGFβ) activity. This disclosure also provides methods of using the compounds in combination with one or more cancer immunotherapies.

  本公开提供了化合物和组合物，以及使用这些化合物和组合物治疗与过度转化生长因子-beta（TGFβ）活性相关的疾病和紊乱的方法。本公开还提供了使用这些化合物与一个或多个癌症免疫疗法结合使用的方法。
• Compounds and methods of use
  申请人：Medivation Technologies LLC

  公开号：US10030004B2

  公开（公告）日：2018-07-24

  This disclosure provides compounds and compositions and methods of using those compounds and compositions to treat diseases and disorders associated with excessive transforming growth factor-beta (TGFβ) activity. This disclosure also provides methods of using the compounds in combination with one or more cancer immunotherapies.

  本公开提供了化合物和组合物以及使用这些化合物和组合物治疗与转化生长因子-β（TGFβ）活性过高有关的疾病和失调的方法。本公开还提供了将这些化合物与一种或多种癌症免疫疗法结合使用的方法。
• COMPOUNDS AND METHODS OF USE
  申请人：Medivation Technologies LLC

  公开号：EP3089971B1

  公开（公告）日：2020-07-29
• Compounds and Methods of Use
  申请人：MEDIVATION TECHNOLOGIES, INC.

  公开号：US20160326137A1

  公开（公告）日：2016-11-10

  This disclosure provides compounds and compositions and methods of using those compounds and compositions to treat diseases and disorders associated with excessive transforming growth factor-beta (TGFβ) activity. This disclosure also provides methods of using the compounds in combination with one or more cancer immunotherapies.