3-甲基-1H-吲唑-4-胺 | 945397-02-4

• 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: 3-甲基-1H-吲唑-4-胺
• 英文名称: 3-methyl-1H-indazol-4-amine
• 英文别名: 3-methyl-2H-indazol-4-amine
• CAS: 945397-02-4
• 化学式: C₈H₉N₃
• 分子量: 147.18
• InChiKey: QSZANYSGILRCLD-UHFFFAOYSA-N

物化性质

• 沸点：
  376.4±22.0 °C(Predicted)
• 密度：
  1.295±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloro-N-(3,5-dimorpholin-4-ylphenyl)pyrimidin-2-amine 、 3-甲基-1H-吲唑-4-胺 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 N-(3,5-dimorpholinophenyl)-N'-(3-methyl-1H-indazol-4-yl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  Inhibitors of the tyrosine kinase EphB4. Part 3: Identification of non-benzodioxole-based kinase inhibitors

  摘要：

  Starting from the initial bis-anilinopyrimidine 1, good potency against EphB4 was retained when benzodioxole at C-4 was replaced by an indazole. The key interactions of the indazole with the protein were characterised by crystallographic studies. Further optimisation led to compound 20, a potent inhibitor of the EphB4 and Src kinases with good pharmacokinetics in various preclinical species and high fraction unbound in plasma. Compound 20 may be used as a tool for evaluating the potential of EphB4 kinase inhibitors in vivo.

  DOI：

  10.1016/j.bmcl.2010.08.100

文献信息

• PYRIMIDINE DERIVATIVES
  申请人：Kettle Jason Grant

  公开号：US20110046108A1

  公开（公告）日：2011-02-24

  The invention concerns benzamide compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R 1 , ring A, n, R 3 , and R 4 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours or other proliferative conditions which are sensitive to the inhibition of EphB4, and/or EphA2 and/or Src kinases.

  这项发明涉及Formula (I)的苯甲酰胺化合物或其药用可接受的盐，其中R1、环A、n、R3和R4如描述中所定义。本发明还涉及制备这种化合物的方法、含有它们的药物组合物以及它们在制造用作抗增殖剂的药物中的用途，用于预防或治疗对EphB4、EphA2和/或Src激酶抑制敏感的肿瘤或其他增殖病症。
• [EN] DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE<br/>[FR] DÉRIVÉS DU 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE
  申请人：IMP INNOVATIONS LTD

  公开号：WO2009071906A1

  公开（公告）日：2009-06-11

  The invention provides a compound of formula (I) wherein R1 denotes hydrogen, methyl or phenyl; R2, R3, R4 and R5 denote hydrogen, halogen, preferably a chlorine atom, alkyl, preferably methyl, alkoxyl, preferably methoxyl; m denotes a number 0 or 1; and HX denotes sulfuric, phosphoric, acetic, malonic, fumaric, oxalic, lactic, tartaric, citric, gluconic, p-toluenesulfonic, methanesulfonic acid, hydrogen bromide or hydrogen iodide, preferably hydrogen chloride. The use of the compounds as α2-adrenergic receptor agonists is also provided.

  本发明提供了一种式子为(I)的化合物，其中R1表示氢、甲基或苯基；R2、R3、R4和R5表示氢、卤素，优选为氯原子，烷基，优选为甲基，烷氧基，优选为甲氧基；m表示数字0或1；HX表示硫酸、磷酸、醋酸、马龙酸、富马酸、草酸、乳酸、酒石酸、柠檬酸、葡萄糖酸、对甲苯磺酸、甲磺酸、氢溴酸或氢碘酸，优选为氢氯酸。本发明还提供将该化合物用作α2肾上腺素受体激动剂的方法。
• Novel compounds that are ERK inhibitors
  申请人：Cooper Alan B.

  公开号：US20090118284A1

  公开（公告）日：2009-05-07

  Disclosed are the ERK inhibitors of formula 1.0: and the pharmaceutically acceptable salts, esters and solvates thereof. Q is a piperidine or piperazine ring that can have a bridge or a fused ring. The piperidine ring can have a double bond in the ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of formula 1.0.

  本发明公开了式1.0的ERK抑制剂及其药学上可接受的盐、酯和溶剂化物。其中，Q是一个带有桥或融合环的哌啶或哌嗪环。哌啶环中可以在环上具有双键。所有其他取代基如本文所定义。本发明还公开了使用式1.0的化合物治疗癌症的方法。
• POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS
  申请人：Schering Corporation

  公开号：EP1966151A1

  公开（公告）日：2008-09-10
• POLYCYCLIC INDAZOLE DERIVATIVES AND THEIR USE AS ERK INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Schering Corporation

  公开号：EP2155722A1

  公开（公告）日：2010-02-24