1H-吡咯并[3,2-c]吡啶-6-甲腈 | 1082040-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 1H-吡咯并[3,2-c]吡啶-6-甲腈
• 中文别名: 1H-吡咯并[3,2-c]吡啶-6-腈
• 英文名称: 6-cyano 5-azaindole
• 英文别名: 1H-pyrrolo[3,2-c]pyridine-6-carbonitrile
• CAS: 1082040-98-9
• 化学式: C₈H₅N₃
• 分子量: 143.148
• InChiKey: MUIUVAZQTGCBJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  1H-吡咯并[3,2-c]吡啶-6-甲腈 、 2-氨基-4-氯嘧啶 以 二甲基亚砜 为溶剂， 生成 1-(2-Aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridine-6-carbonitrile
  参考文献：
  名称：

  N-substituted azaindoles as potent inhibitors of Cdc7 kinase

  摘要：

  Cdc7 kinase is responsible for the initiation and regulation of DNA replication and has been proposed as a target for cancer therapy. We have identified a class of Cdc7 inhibitors based on a substituted indole core. Synthesis of focused indole and azaindole analogs yielded potent and selective 5-azaindole Cdc7 inhibitors with improved intrinsic metabolic stability (ie 36). In parallel, quantum mechanical conformational analysis helped to rationalize SAR observations, led to a proposal of the preferred binding conformation in the absence of co-crystallography data, and allowed the design of 7-azaindole 37 as a second lead in this series. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.007

文献信息

• HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20140155398A1

  公开（公告）日：2014-06-05

  The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A′ B, D, R 1 , R 2 and R 3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

  本发明提供了一种异环化合物，其化学式为（I），其药学上可接受的盐，其前药或水合物，其中A，A'，B，D，R1，R2和R3如本文所定义，包括一种以化合物（I）为活性成分的药物组合物，生产方法以及使用方法。特别是，本发明提供了一种化合物（I），用于治疗或预防与蛋白激酶相关的疾病，症状或紊乱，优选为Janus激酶家族。
• [EN] HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：DAIICHI SANKYO CO LTD

  公开号：WO2012160464A1

  公开（公告）日：2012-11-29

  The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A' B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

  本发明提供了一种异环化合物的化学式(I)，其药学上可接受的盐，其前药或水合物，其中A，A'，B，D，R1，R2和R3如本文所定义，包括一种化合物的药物组合物的化学式(I)作为活性成分，生产方法和使用方法。特别是，本发明提供了一种化合物的化学式(I)，用于治疗或预防与蛋白激酶相关的疾病，症状或紊乱，优选为Janus激酶家族。
• Heterocyclic compounds as protein kinase inhibitors
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08980911B2

  公开（公告）日：2015-03-17

  The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A′ B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

  本发明提供一种杂环化合物，其化学式为（I），其药学上可接受的盐、前药或水合物，其中A、A'、B、D、R1、R2和R3的定义如本文所述，以化合物（I）作为活性成分的药物组合物，其制备方法及使用方法。特别地，本发明提供一种化合物（I），用于治疗或预防与蛋白激酶相关的疾病、病况或障碍，优选为Janus激酶家族。
• [EN] SRPK INHIBITORS<br/>[FR] INHIBITEURS DE SRPK
  申请人：MERCK PATENT GMBH

  公开号：WO2023006860A1

  公开（公告）日：2023-02-02

  Novel compounds of formula (I), wherein W1, W2, W3, W4, R1, R2, R3, R4, R5, R6and m have the meaning according to the claims, are SRPK inhibitors, and can be used, inter alia, for the treatment of hyperproliferative disorders.

  式(I)的新化合物，其中W1，W2，W3，W4，R1，R2，R3，R4，R5，R6和m根据权利要求所述的含义，是SRPK抑制剂，可用于治疗过度增生性疾病。
• MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core
  作者：Martin Schröder、Matthias Leiendecker、Ulrich Grädler、Juliane Braun、Andreas Blum、Marek Wanior、Benedict-Tilman Berger、Andreas Krämer、Susanne Müller、Christina Esdar、Stefan Knapp、Timo Heinrich

  DOI：10.1021/acs.jmedchem.2c01705

  日期：2023.1.12