7-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole | 1158680-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 7-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
• 英文别名: 7-Bromo-1-(tetrahydro-2H-pyran-2-YL)-1H-indazole；7-bromo-1-(oxan-2-yl)indazole
• CAS: 1158680-89-7
• 化学式: C₁₂H₁₃BrN₂O
• 分子量: 281.152
• InChiKey: GDUNQMVBIWXPEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  7-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 生成 7-propyl-1H-indazole
  参考文献：
  名称：

  Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors

  摘要：

  Antibacterials with a novel mechanism of action offer a great opportunity to combat widespread antimicrobial resistance. Bacterial DNA Gyrase is a clinically validated target. Through physiochemical property optimization of a pyrazolopyridone hit, a novel class of GyrB inhibitors were discovered. Guided by structure-based drug design, indazole derivatives with excellent enzymatic and antibacterial activity as well as great animal efficacy were discovered.

  DOI：

  10.1021/acsmedchemlett.5b00266
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 7-溴-1H-吲唑 在 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 以36%的产率得到7-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
  参考文献：
  名称：

  [EN] POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS
  [FR] COMPOSÉS POLYHÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE METTL3

  摘要：

  本发明涉及具有以下式（I）的化合物，其作为METTL3（N6-腺苷-甲基转移酶70kDa亚基）酶活性的抑制剂：X-Y-Z（I），其中X、Y和Z如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增生性疾病（如癌症）、自身免疫疾病以及METTL3活性相关的其他疾病或病况中的用途。

  公开号：

  WO2021111124A1

文献信息

• [EN] POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS<br/>[FR] COMPOSÉS POLYHÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE METTL3
  申请人：STORM THERAPEUTICS LTD

  公开号：WO2021111124A1

  公开（公告）日：2021-06-10

  The present invention relates to compounds of formula (I) that function as inhibitors of METTL3 (N6-adenosine-methyltransferase 70 kDa subunit) enzyme activity: X-Y-Z (I) wherein X, Y and Z are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, and autoimmune diseases, as well as other diseases or conditions in which METTL3 activity is implicated.

  本发明涉及具有以下式（I）的化合物，其作为METTL3（N6-腺苷-甲基转移酶70kDa亚基）酶活性的抑制剂：X-Y-Z（I），其中X、Y和Z如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增生性疾病（如癌症）、自身免疫疾病以及METTL3活性相关的其他疾病或病况中的用途。
• Protected Indazole Boronic Acid Pinacolyl Esters: Facile Syntheses and Studies of Reactivities in Suzuki-Miyaura Cross-Coupling and Hydroxydeboronation Reactions
  作者：Valérie Collot、François Crestey、Elodie Lohou、Silvia Stiebing、Sylvain Rault

  DOI：10.1055/s-0028-1087922

  日期：2009.3

  and efficient synthesis for the isolation of protected indazolylboronic esters. These com- pounds were synthesized by reaction between prepared protected haloindazoles and bis(pinacolato)diboron. The effects of solvent, temperature, reaction time, and the nature of halogen atom as well as protecting group were investigated. Additionaly, these com- pounds reacted either with aryl halides in a Suzuki-Miyaura

  该论文描述了一种用于分离受保护的吲唑基硼酸酯的快速有效的合成方法。这些化合物是通过制备的受保护的卤代吲唑和双（频哪醇）二硼反应合成的。考察了溶剂、温度、反应时间、卤原子性质和保护基等因素的影响。此外，这些化合物在 Suzuki-Miyaura 交叉偶联反应中与芳基卤化物反应或在羟基脱硼反应中与过氧化氢反应，显示出可能获得新的芳基和羟基吲唑库。我们小组长期以来一直对新的多功能化吲唑文库的设计和合成感兴趣，1 特别是那些源自色胺、血清素、褪黑激素或色氨酸的 2-氮杂生物电子等排体的文库。2
• [EN] NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES, COMPOSITIONS, PROCÉDÉS DE PRÉPARATION ET UTILISATIONS DE CEUX-CI
  申请人：FORENDO PHARMA LTD

  公开号：WO2022234193A1

  公开（公告）日：2022-11-10

  The present invention relates to compounds of formula (I),to salts, solvates and solvates of salts thereof, and to pharmaceutical compositions comprising these compounds as active ingredients. The invention further relates to their use as aldo-keto reductase family 1 C3 (AKR1C3), also known as 17β-hydroxysteroid dehydrogenase type 5 (17β-HSD5, HSD17B5) and prostaglandin (PG) F2α synthase, inhibitors. The invention further relates to methods for their preparation, and to uses of said compounds.

  本发明涉及式（I）的化合物，其盐、溶剂化物和盐的溶剂化物，以及包含这些化合物作为活性成分的药物组合物。本发明进一步涉及它们作为醛酮还原酶家族1C3（AKR1C3），也称17β-羟基类固醇脱氢酶5型（17β-HSD5，HSD17B5）和前列腺素（PG）F2α合成酶的抑制剂的用途。本发明还涉及其制备方法和所述化合物的用途。
• POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS
  申请人：Storm Therapeutics Ltd

  公开号：EP4069694A1

  公开（公告）日：2022-10-12
• Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors
  作者：Jing Zhang、Qingyi Yang、Jan Antoinette C. Romero、Jason Cross、Bin Wang、Katherine M. Poutsiaka、Felix Epie、Douglas Bevan、Yuchuan Wu、Terence Moy、Anu Daniel、Brian Chamberlain、Nicole Carter、Joseph Shotwell、Anu Arya、Vipul Kumar、Jared Silverman、Kien Nguyen、Chester A. Metcalf、Dominic Ryan、Blaise Lippa、Roland E. Dolle

  DOI：10.1021/acsmedchemlett.5b00266

  日期：2015.10.8

  Antibacterials with a novel mechanism of action offer a great opportunity to combat widespread antimicrobial resistance. Bacterial DNA Gyrase is a clinically validated target. Through physiochemical property optimization of a pyrazolopyridone hit, a novel class of GyrB inhibitors were discovered. Guided by structure-based drug design, indazole derivatives with excellent enzymatic and antibacterial activity as well as great animal efficacy were discovered.