6-碘-1H-吲唑-3-羧酸 | 885520-67-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 6-碘-1H-吲唑-3-羧酸
• 英文名称: 6-iodo-1H-indazole-3-carboxylic acid
• CAS: 885520-67-2
• 化学式: C₈H₅IN₂O₂
• 分子量: 288.044
• InChiKey: RRJVCGPPXNEYJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  512.1±30.0 °C(Predicted)
• 密度：
  2.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-碘-1H-吲唑-3-羧酸 在 copper(l) iodide 、 bis(triphenylphosphine)benzylideneruthenium(II) dichloride sodium hydride 作用下， 以 四氢呋喃 、 三乙胺 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 19.25h， 生成 1-(2-amino-6-chloropyrimidin-4-yl)-6-[3-hydroxy-3-(pyrimidin-2-yl)but-1-yn-1-yl]-1H-indazole-3-carboxylic acid
  参考文献：
  名称：

  6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR

  摘要：

  这项发明涉及公式I的新化合物： 其中A、Y、R1、R2和下标b各自具有如本文所述的含义，以及公式I的化合物、立体异构体、几何异构体、互变异构体、溶剂合物、代谢物、同位素、药学上可接受的盐或其前药。公式I的化合物及其药物组成物在治疗观察到NF-kB信号通路的不良或过度激活的疾病和紊乱中是有用的。

  公开号：

  US20120214762A1

文献信息

• 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor
  申请人：Genentech, Inc.

  公开号：US20150038460A1

  公开（公告）日：2015-02-05

  The invention relates to novel compounds of Formula I: wherein A, Y, R 1 , R 2 and the subscript b each has the meaning as described herein and compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates, metabolites, isotopes, pharmaceutically acceptable salts, or prodrugs thereof. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  该发明涉及公式I的新化合物：其中A，Y，R1，R2和下标b各自具有如下所述的含义，以及公式I的化合物，立体异构体，几何异构体，互变异构体，溶剂化物，代谢物，同位素，药学上可接受的盐或其前药。公式I的化合物及其制药组合物在治疗疾病和障碍方面有用，其中观察到NF-kB信号不良或过度激活。
• 6,5-heterocyclic propargylic alcohol compounds and uses therefor
  申请人：Staben Steven

  公开号：US08901313B2

  公开（公告）日：2014-12-02

  The invention relates to novel compounds of Formula I: wherein A, Y, R1, R2 and the subscript b each has the meaning as described herein and compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates, metabolites, isotopes, pharmaceutically acceptable salts, or prodrugs thereof. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及一种新型化合物I的公式：其中A，Y，R1，R2和下标b具有如下所述的含义，以及化合物I的立体异构体，几何异构体，互变异构体，溶剂化物，代谢物，同位素，药学上可接受的盐或其前药。公式I化合物及其制药组合物在治疗疾病和障碍方面有用，其中观察到NF-kB信号的不良或过度激活。
• 5-substituted indazole-3-carboxamides and preparation and use thereof
  申请人：Samumed, LLC

  公开号：US10669240B2

  公开（公告）日：2020-06-02

  Indazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an indazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, fibrotic disorders, cartilage (chondral) defects, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, and neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  本发明公开了用于治疗各种疾病和病理的吲唑化合物。更具体地说，本公开涉及一种吲唑化合物或其类似物在治疗以 Wnt 通路信号激活为特征的疾病（如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺病、纤维化疾病、软骨（软骨病））中的用途、癌症、细胞异常增殖、血管生成、阿尔茨海默病、肺部疾病、纤维化疾病、软骨（软骨）缺陷和骨关节炎）、Wnt 通路信号介导的细胞事件的调节，以及与 DYRK1A 过度表达相关的神经状况/紊乱/疾病。
• 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20180127377A1

  公开（公告）日：2018-05-10

  Indazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an indazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, fibrotic disorders, cartilage (chondral) defects, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, and neurological conditions/disorders/diseases linked to overexpression of DYRK1A.
• US8901313B2
  申请人：——

  公开号：US8901313B2

  公开（公告）日：2014-12-02