N-methyl-1H-indazole-6-carboxamide | 906000-49-5

• 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: N-methyl-1H-indazole-6-carboxamide
• CAS: 906000-49-5
• 化学式: C₉H₉N₃O
• 分子量: 175.19
• InChiKey: VQQHIPUHIPQFOW-UHFFFAOYSA-N

物化性质

• 沸点：
  486.2±18.0 °C(Predicted)
• 密度：
  1.293±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methyl-1H-indazole-6-carboxamide 在 碘 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-6-carboxamide
  参考文献：
  名称：

  Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides

  摘要：

  TTK kinase was identified by in-house siRNA screen and pursued as a tractable, novel target for cancer treatment. A screening campaign and systematic optimization, supported by computer modeling led to an indazole core with key sulfamoylphenyl and acetamido moieties at positions 3 and 5, respectively, establishing a novel chemical class culminating in identification of 72 (CFI-400936). This potent inhibitor of TTK (IC50=3.6nM) demonstrated good activity in cell based assay and selectivity against a panel of human kinases. A co-complex TTK X-ray crystal structure and results of a xenograft study with TTK inhibitors from this class are described.

  DOI：

  10.1016/j.bmc.2014.06.027
• 作为产物：
  描述：

  1H-吲唑-6-羧酸 、 甲胺 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 N-methyl-1H-indazole-6-carboxamide
  参考文献：
  名称：

  WO2006/86255

  摘要：

  公开号：

文献信息

• [EN] OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF<br/>[FR] COMPOSITIONS D'OLIGONUCLÉOTIDES ET PROCÉDÉS ASSOCIÉS
  申请人：WAVE LIFE SCIENCES LTD

  公开号：WO2021237223A1

  公开（公告）日：2021-11-25

  The present disclosure provides modified oligonucleotides and compositions and methods thereof. In some embodiments, provided technologies comprise modified sugars and/or modified internucleotidic linkages. In some embodiments, the present disclosure provides technologies for preparing modified oligonucleotides. In some embodiments, the present disclosure provides chirally controlled oligonucleotide compositions and methods for their preparation and uses.

  本公开提供了经修改的寡核苷酸及其组合物和方法。在某些实施方式中，提供的技术包括修改的糖或修改的核苷酸间连接。在某些实施方式中，本公开提供了用于制备修改的寡核苷酸的技术。在某些实施方式中，本公开提供了对手性控制的寡核苷酸组合物及其制备和用途的方法。
• Selective N2-Alkylation of 1H-Indazoles and 1H-Azaindazoles
  作者：Allyn T. Londregan、Jennifer Clemens、Emily L. Bell

  DOI：10.1055/s-0040-1719917

  日期：2022.7

  A general and selective procedure for the N2-alkylation of 1H-indazoles and 1H-azaindazoles is presented. Promoted by either trifluoromethanesulfonic acid or copper(II) triflate, diverse 1H-indazoles/azaindazoles are selectively alkylated with varied primary, secondary, and tertiary alkyl 2,2,2-trichloroacetimidates at the N2-nitrogen to afford the corresponding 2-alkyl-2H-indazoles/azaindazoles. Forty-one

  介绍了 1 H-吲唑和 1 H-氮杂吲唑的 N2-烷基化的一般和选择性程序。在三氟甲磺酸或三氟甲磺酸铜 (II) 的促进下，不同的 1 H-吲唑/氮杂吲唑在 N2-氮上被不同的伯、仲和叔烷基 2,2,2-三氯乙酰亚胺酯选择性烷基化，得到相应的 2-烷基-2 H-吲唑/氮杂吲唑。包括四十一个例子以及对反应优化、范围和机理的讨论。
• Inhibitors of Checkpoint Kinases
  申请人：Arrington L. Kenneth

  公开号：US20080004259A1

  公开（公告）日：2008-01-03

  The instant invention provides for compounds which comprise substituted indolyl indazoles that inhibit CHK1 activity. The instant compounds provide a novel mechanism of action with unexpected advantageous properties; such unexpected advantageous properties may include increased cellular potency/solubility, greater selectivity, enhanced pharmacokinetic properties, lack of off target activity and so on. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting CHK1 activity by administering the compound to a patient in need of treatment of cancer.

  本发明提供了一种包括取代的吲哚基吲唑化合物，能够抑制CHK1活性。这些化合物提供了一种新的作用机制，具有意想不到的优越性质；这些意想不到的优越性质可能包括增强的细胞效力/溶解度、更高的选择性、增强的药代动力学性质、缺乏非靶标活性等等。本发明还提供了包含这些抑制剂化合物的组合物以及通过向需要治疗癌症的患者投药来抑制CHK1活性的方法。
• Substituted Indazole Amides And Their Use As Glucokinase Activators
  申请人：Corbett Jeffrey W.

  公开号：US20110319379A1

  公开（公告）日：2011-12-29

  The present invention provides a compound of Formula (I) or a pharmaceutically acceptable salt thereof wherein R 1 , R 4 , R 6 , X, Y and Z are as defined herein. The compounds of Formula (I) have been found to act as glucokinase activators. Consequently, the compounds of Formula (I) and the pharmaceutical compositions thereof are useful for the treatment of diseases, disorders, or conditions mediated by glucokinase.

  本发明提供公式（I）的化合物或其药学上可接受的盐，其中R1、R4、R6、X、Y和Z的定义如本文所述。已经发现公式（I）的化合物可以作为葡萄糖激酶激活剂。因此，公式（I）的化合物及其制备的药物组合物可用于治疗由葡萄糖激酶介导的疾病、紊乱或情况。
• Identification of Compounds Suitable for Treating Ad
  申请人：Churcher Ian

  公开号：US20090192155A1

  公开（公告）日：2009-07-30

  The invention provides a method of screening for compounds which inhibit the hyperphosphorylation of tau, and hence are suitable for treating AD and related conditions.

  本发明提供了一种筛选抑制tau超磷酸化的化合物的方法，因此适用于治疗AD和相关疾病。