1H-吡咯[2,3-B]吡啶-1-羧酸-4-氯-1,1-二甲基乙酯 | 945599-50-8

• 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[2,3-B]吡啶-1-羧酸-4-氯-1,1-二甲基乙酯
• 英文名称: 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-carboxylate；tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate；4-chloro-7H-pyrrole[2,3-b]pyrimidine-7-carboxylic acid tert-butyl ester；1-Boc-4-chloro-7-azaindole；tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate
• CAS: 945599-50-8
• 化学式: C₁₂H₁₃ClN₂O₂
• 分子量: 252.7
• InChiKey: NILMPLDZXMKZKH-UHFFFAOYSA-N

物化性质

• 沸点：
  345.8±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

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,H317

反应信息

• 作为反应物：
  描述：

  1H-吡咯[2,3-B]吡啶-1-羧酸-4-氯-1,1-二甲基乙酯 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 以65 %的产率得到tert-butyl 4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
  参考文献：
  名称：

  10.3390/molecules29153515

  摘要：

  DOI：

  10.3390/molecules29153515
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 4-氯-7-氮杂吲哚 在 4-二甲氨基吡啶 氮 、 碳酸氢钠 、 Brine 、 magnesium sulfate 、 乙酸乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 34.0h， 以White solids, tert-butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate were formed slowly under vacuum的产率得到1H-吡咯[2,3-B]吡啶-1-羧酸-4-氯-1,1-二甲基乙酯
  参考文献：
  名称：

  Aurora kinase modulators and method of use

  摘要：

  本发明涉及具有一般式I的化合物，其中A1、A2、C1、C2、D、L1、L2、Z和R3、R4、R6、R7和R8在此被定义，这些化合物能够调节极化激酶蛋白的活性，从而影响与极化激酶蛋白的活动相关的各种疾病状态和条件。例如，这些化合物能够影响细胞周期和细胞增殖的过程，以治疗癌症和癌症相关疾病。本发明还包括制药组合物、制备本发明化合物的过程、合成中间体和治疗与极化激酶活性相关的疾病的方法。

  公开号：

  US20090163501A1

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS D'UTILISATION
  申请人：INTEGRAL BIOSCIENCES PVT LTD

  公开号：WO2020012357A1

  公开（公告）日：2020-01-16

  The present invention discloses compounds useful in treatment of conditions associated with excessive activity of transforming growth factor beta (TGF-β), particularly type 1 or activin-like kinase 5 (ALK 5). Specifically the present invention discloses compound of formula (I) which exhibit inhibitory activity against ALK 5. Method of treating conditions associated with excessive activity (ALK 5) with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

  本发明揭示了在治疗与转化生长因子β（TGF-β）过度活性相关的疾病中有用的化合物，特别是针对类型1或类活化激酶5（ALK 5）。具体来说，本发明揭示了具有对ALK 5具有抑制活性的化合物的结构式（I）。还公开了使用这种化合物治疗与过度活性（ALK 5）相关的疾病的方法。此外，还公开了这些化合物的用途、制药组合物和试剂盒。
• Aurora Kinase Modulators and Method of Use
  申请人：CEE Victor J.

  公开号：US20110263530A1

  公开（公告）日：2011-10-27

  The present invention relates to chemical compounds having a general formula I wherein A 1 , A 2 , C 1 , C 2 , D, L 1 , L 2 , Z and R 3 , R 4 , R 6 , R 7 and R 8 are defined herein, which are capable of modulating Aurora kinase protein activity, thereby influencing various disease states and conditions related to the activities of Aurora kinase proteins. For example, the compounds are capable of influencing the process of cell cycle and cell proliferation to treat cancer and cancer-related diseases. The invention also includes pharmaceutical compositions, processes of preparing compounds of the invention, synthetic intermediates and methods of treatment of conditions related to the activity of Aurora kinase.

  本发明涉及具有一般式I的化合物，其中定义了A1、A2、C1、C2、D、L1、L2、Z和R3、R4、R6、R7和R8，这些化合物能够调节极化激酶蛋白活性，从而影响与极化激酶蛋白活性相关的各种疾病状态和情况。例如，这些化合物能够影响细胞周期和细胞增殖的过程，以治疗癌症和与癌症相关的疾病。本发明还包括制备本发明化合物的药物组合物、合成中间体和治疗与极化激酶活性相关疾病的方法。
• AURORA KINASE MODULATORS AND METHOD OF USE
  申请人：Amgen Inc.

  公开号：US20140066430A1

  公开（公告）日：2014-03-06

  The present invention relates to chemical compounds having a general formula I wherein A 1 , A 2 , C 1 , C 2 , D, L 1 , L 2 , Z and R 3 , R 4 , R 6 , R 7 and R 8 are defined herein, which are capable of modulating Aurora kinase protein activity, thereby influencing various disease states and conditions related to the activities of Aurora kinase proteins. For example, the compounds are capable of influencing the process of cell cycle and cell proliferation to treat cancer and cancer-related diseases. The invention also includes pharmaceutical compositions, processes of preparing compounds of the invention, synthetic intermediates and methods of treatment of conditions related to the activity of Aurora kinase.

  本发明涉及具有一般式I的化合物，其中A1，A2，C1，C2，D，L1，L2，Z和R3，R4，R6，R7和R8在此定义，这些化合物能够调节极化激酶蛋白活性，从而影响与极化激酶蛋白活动相关的各种疾病状态和病情。例如，这些化合物能够影响细胞周期和细胞增殖过程，以治疗癌症和癌症相关疾病。本发明还包括制备本发明化合物的药物组合物、合成中间体和治疗与极化激酶活性相关疾病的方法。
• Cdc7 Kinase Inhibitors: Pyrrolopyridinones as Potential Antitumor Agents. 1. Synthesis and Structure–Activity Relationships
  作者：Ermes Vanotti、Raffaella Amici、Alberto Bargiotti、Jens Berthelsen、Roberta Bosotti、Antonella Ciavolella、Alessandra Cirla、Cinzia Cristiani、Roberto D’Alessio、Barbara Forte、Antonella Isacchi、Katia Martina、Maria Menichincheri、Antonio Molinari、Alessia Montagnoli、Paolo Orsini、Antonio Pillan、Fulvia Roletto、Alessandra Scolaro、Marcellino Tibolla、Barbara Valsasina、Mario Varasi、Daniele Volpi、Corrado Santocanale

  DOI：10.1021/jm700956r

  日期：2008.2.1

  Cdc7 kinase is an essential protein that promotes DNA replication in eukaryotic organisms. Genetic evidence indicates that Cdc7 inhibition can cause selective tumor-cell death in a p53-independent manner, supporting the rationale for developing Cdc7 small-molecule inhibitors for the treatment of cancers. In this paper, the synthesis and structure-activity relationships of 2-heteroaryl-pyrrolopyridinones, the first potent Cdc7 kinase inhibitors, are,described. Starting from 2-pyridin-4-yl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one, progress toward a simple scaffold, tailored for Cdc7 inhibition, is reported.
• HETEROCYCLIC COMPOUNDS AND METHODS OF USE
  申请人：Integral Biosciences Private Limited

  公开号：US20200247812A1

  公开（公告）日：2020-08-06

  The present invention discloses compounds useful in treatment of conditions associated with excessive activity of transforming growth factor beta (TGF-β), particularly type I or activin-like kinase 5 (ALK 5). Specifically, the present invention discloses compound of formula (I) which exhibit inhibitory activity against ALK 5. Method of treating conditions associated with excessive activity (ALK 5) with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.