N-[4-[(3R)-3-Amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylbutanamide | 1196541-72-6

• 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: N-[4-[(3R)-3-Amino-1-piperidinyl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylbutanamide
• 英文别名: N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylbutanamide
• CAS: 1196541-72-6
• 化学式: C₁₇H₂₄BrN₅O
• 分子量: 394.3
• InChiKey: RTANGYAYUPFXFN-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• [EN] PYRROLOPYRIDINES AS KINASE INHIBITORS<br/>[FR] PYRROLOPYRIDINES EN TANT QU'INHIBITEURS DE KINASE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2009140320A1

  公开（公告）日：2009-11-19

  Compounds of Formula (I) are useful for inhibition of CHKl and/or CHK2. Methods of using compounds of Formula (I) and stereoisomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式（I）的化合物对于CHKl和/或CHK2的抑制是有用的。本文揭示了使用公式（I）的化合物及其立体异构体和药学上可接受的盐，以进行哺乳动物细胞中的体外、体内和原位诊断、预防或治疗这些疾病，或相关的病理条件的方法。
• PYRROLOPYRIDINES AS KINASE INHIBITORS
  申请人：Le Huerou Yvan

  公开号：US20110070317A1

  公开（公告）日：2011-03-24

  Compounds of Formula (I) are useful for inhibition of CHK1 and/or CHK2. Methods of using compounds of Formula (I) and stereoisomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  化学式（I）的化合物对于抑制CHK1和/或CHK2非常有用。本文揭示了使用化学式（I）的化合物及其立体异构体和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理状态的方法。
• Combination of checkpoint kinase 1 inhibitors and wee 1 kinase inhibitors
  申请人：Array BioPharma Inc.

  公开号：US10434094B2

  公开（公告）日：2019-10-08

  A combination of a CHK1 inhibitor and a WEE1 inhibitor are provided.

  提供了 CHK1 抑制剂和 WEE1 抑制剂的组合。
• Methods for treating spinocerebellar ataxia type I using RPA1
  申请人：National University Corporation Tokyo Medical and Dental University

  公开号：US10989719B2

  公开（公告）日：2021-04-27

  To provide a compound which enables treatment or prevention of spinocerebellar ataxia, analyses were carried out based on a screening using a spinocerebellar ataxia type 1 (SCA1) fly model and on the like. As a result, the following proteins ameliorating the pathology of spinocerebellar ataxia were identified: RPA1, PNKP, XRCC3, XRCC4, CCNH, POLE, POLH, and PER1. On the other hand, the following proteins aggravating the pathology were identified: CHK1, LIG3, FEN1, LIG1, ERCC5, XAB2, ERCC2, DMC1, RECQL5, MUS81, EME1, SPO11, and BLM. In addition, it has been revealed that ATXN1, which is a cause of SCA1, binds to RPA1, BRCA1, and BRCA2, and suppresses the activities of these proteins, so that the above-described pathology is caused.

  为了提供一种能够治疗或预防脊髓小脑共济失调的化合物，在利用脊髓小脑共济失调 1 型（SCA1）蝇模型等进行筛选的基础上进行了分析。结果发现了以下可改善脊髓小脑共济失调病理的蛋白质：RPA1、PNKP、XRCC3、XRCC4、CCNH、POLE、POLH 和 PER1。另一方面，还发现了以下会加重病症的蛋白质：CHK1、LIG3、FEN1、LIG1、ERCC5、XAB2、ERCC2、DMC1、RECQL5、MUS81、EME1、SPO11 和 BLM。此外，研究还发现，导致 SCA1 的 ATXN1 会与 RPA1、BRCA1 和 BRCA2 结合，抑制这些蛋白的活性，从而导致上述病理现象。
• Methods for treating oral cancers
  申请人：Chang Gung University

  公开号：US11304939B2

  公开（公告）日：2022-04-19

  Provided herein is a method for treating an oral cancer in a subject. According to embodiments of the present disclosure, the method comprises respectively obtaining a first and a second biological samples from a lesion site and a non-lesion site of the subject; respectively measuring the expression levels of CHEK1, PIK3CA, or PIK3CD in both biological samples by qRT-PCR thereby obtaining a first and a second expression level; determining the ratio of the first to the second expression level; and administering to the subject an effective amount of a checkpoint kinase 1 inhibitor when the ratio for CHEK1 is at least 1.7 or a phosphatidylinositol 3-kinase inhibitor when the ratio for PIK3CA is at least 2.4, or when the ratio for PIK3CD is at least 3.1.

  本文提供了一种治疗受试者口腔癌的方法。根据本公开的实施方案，该方法包括分别从受试者的病变部位和非病变部位获得第一和第二生物样本；通过qRT-PCR分别测量两个生物样本中CHEK1、PIK3CA或PIK3CD的表达水平，从而获得第一和第二表达水平；确定第一表达水平与第二表达水平的比率；以及当CHEK1的比率至少为1.7时，向受试者施用有效量的检查点激酶1抑制剂，或当PIK3CA的比率至少为2.4时，向受试者施用有效量的磷脂酰肌醇3-激酶抑制剂。7 或当 PIK3CA 的比值至少为 2.4 或当 PIK3CD 的比值至少为 3.1 时，向受试者施用有效量的磷脂酰肌醇 3- 激酶抑制剂。