2-chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | 1122022-84-7

• 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: 2-chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• 英文别名: 2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• CAS: 1122022-84-7
• 化学式: C₁₀H₉ClN₂
• 分子量: 192.648
• InChiKey: UCSOTOIFRNTQBP-UHFFFAOYSA-N

物化性质

• 沸点：
  328.4±42.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 在 sodium sulfide 作用下， 以 叔丁醇 为溶剂， 反应 0.33h， 生成 4-methyl-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis and evaluation of pyrido-thieno-pyrimidines as potent and selective Cdc7 kinase inhibitors

  摘要：

  Cdc7 kinase plays a critical role in the regulation of DNA replication in eukaryotic cells and has been proposed as a target for cancer therapy. We have identified a class of Cdc7/Dbf4 inhibitors with a pyrido-thieno-pyrimidine core structure. Synthesis of a focused pyrido-thieno-pyrimidine library yielded potent and selective Cdc7 inhibitors with antiproliferative activity against cancer cells in vitro. Their synthesis and SAR data are presented herein. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.093
• 作为产物：
  描述：

  4-methyl-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile 在 三氯氧磷 作用下， 以57%的产率得到2-chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
  参考文献：
  名称：

  [EN] ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS
  [FR] DÉRIVÉS ACÉTAMIDO EN TANT QU'INHIBITEURS DE L'ADN POLYMÉRASE THÊTA

  摘要：

  本文披露了某些DNA聚合酶Θ（Polθ）抑制剂的乙酰胺衍生物，其化学式为（I）。同时，还披露了包括这些化合物的药物组合物以及治疗可通过抑制Polθ来治疗的疾病的方法，如癌症，包括同源重组（HR）缺陷性癌症。

  公开号：

  WO2020160134A1

文献信息

• [EN] FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28<br/>[FR] INHIBITEURS À PETITES MOLÉCULES PYRIMIDINE-THIÉNO-PYRIDINE TRICYCLIQUES FUSIONNÉES DE LA PROTÉASE 28 SPÉCIFIQUE DE L'UBIQUITINE
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2022035806A1

  公开（公告）日：2022-02-17

  The present disclosure relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof. The present disclosure further relates to methods of treating a disease or disorder associated with ubiquitin-specific protease 28 (USP28) and methods of inhibiting USP28.

  本公开涉及式（I）化合物或其药学上可接受的盐。本公开还涉及治疗与泛素特异性蛋白酶28（USP28）相关的疾病或紊乱的方法，以及抑制USP28的方法。
• WO2021007477A5
  申请人：——

  公开号：WO2021007477A5

  公开（公告）日：2023-07-19
• [EN] INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS<br/>[FR] INDAZOLES ET AZAINDAZOLES EN TANT QU'INHIBITEURS DE LRRK2
  申请人：E SCAPE BIO INC

  公开号：WO2021007477A1

  公开（公告）日：2021-01-14

  The present invention is directed to indazole and azaindazole compounds which are inhibitors of LRRK2 and are useful in the treatment of CNS disorders.
• [EN] ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS<br/>[FR] DÉRIVÉS ACÉTAMIDO EN TANT QU'INHIBITEURS DE L'ADN POLYMÉRASE THÊTA
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2020160134A1

  公开（公告）日：2020-08-06

  Disclosed herein are certain acetamido derivatives that are DNA Polymerase Theta (Polθ) inhibitors of Formula (I). Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  本文披露了某些DNA聚合酶Θ（Polθ）抑制剂的乙酰胺衍生物，其化学式为（I）。同时，还披露了包括这些化合物的药物组合物以及治疗可通过抑制Polθ来治疗的疾病的方法，如癌症，包括同源重组（HR）缺陷性癌症。
• Synthesis and evaluation of pyrido-thieno-pyrimidines as potent and selective Cdc7 kinase inhibitors
  作者：Chunlin Zhao、Christian Tovar、Xuefeng Yin、Qui Xu、Ivan T. Todorov、Lyubomir T. Vassilev、Li Chen

  DOI：10.1016/j.bmcl.2008.11.093

  日期：2009.1

  Cdc7 kinase plays a critical role in the regulation of DNA replication in eukaryotic cells and has been proposed as a target for cancer therapy. We have identified a class of Cdc7/Dbf4 inhibitors with a pyrido-thieno-pyrimidine core structure. Synthesis of a focused pyrido-thieno-pyrimidine library yielded potent and selective Cdc7 inhibitors with antiproliferative activity against cancer cells in vitro. Their synthesis and SAR data are presented herein. (C) 2008 Elsevier Ltd. All rights reserved.