3-Methyl-4,5-cyclohexano-Δ²-pyrazolin | 2214-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3-Methyl-4,5-cyclohexano-Δ²-pyrazolin
• 英文别名: 3-Methyl-4,5-tetramethylenpyrazolin-(2)；4,5-Tetramethylen-3-methyl-4,5-dihydro-pyrazol；3-methyl-3a,4,5,6,7,7a-hexahydro-1H-indazole；3-Methyl-3a,4,5,6,7,7a-hexahydro-1H-indazol；3-methyl-3a,4,5,6,7,7a-hexahydro-1H-indazole
• CAS: 2214-01-9
• 化学式: C₈H₁₄N₂
• 分子量: 138.213
• InChiKey: QGNWZRNZWCRQRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Methyl-4,5-cyclohexano-Δ²-pyrazolin 以 氘代氯仿 为溶剂， 反应 24.0h， 生成 4,5,6,7-Tetrahydro-3-methyl-1H-indazol
  参考文献：
  名称：

  母体肼金催化炔烃和丙二烯的加氢胺化

  摘要：

  在具有环状（烷基）（氨基）卡宾配体的阳离子金（I）配合物存在下，将肼添加到炔烃，二炔，烯炔和丙二烯中，形成了多种含氮化合物（请参见方案；显示了金-肼配合物的X射线晶体结构）。该加氢胺化是制备无环和杂环本体化学品的理想初始步骤。浸渍= 2,6-二异丙基苯基。

  DOI：

  10.1002/anie.201100740
• 作为产物：
  描述：

  乙酰基环已烯 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 3-Methyl-4,5-cyclohexano-Δ²-pyrazolin
  参考文献：
  名称：

  Synthesis of hydrogenated indazole derivatives starting with α,β-unsaturated ketones and hydrazine derivatives

  摘要：

  The reaction of hydrazine derivatives with alpha,beta-unsaturated ketones, such as cyclohexenyl(phenyl) methanone and (E)-2-benzylidenecyclohexanone, were investigated.The reaction between methylhydrazine and e.g., cyclohexenyl(phenyl)methanone was particularly interesting as 3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole was obtained as the major product together with 4,5,6,7-tetrahydro-2-methyl-3-phenyl-2H-indazole as a minor product. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.041

文献信息

• INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS
  申请人：Aronov Alex

  公开号：US20090048250A1

  公开（公告）日：2009-02-19

  The present invention provides compounds of formula I: These compounds, and pharmaceutically acceptable compositions thereof, are useful generally as kinase inhibitors, particularly as inhibitors of PRAK, GSK3, ERK2, CDK2, MK2, SRC, SYK, and Aurora-2. Accordingly, compounds and compositions of the invention are useful for treating or lessening the severity of a variety of disorders, including, but not limited to, heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, destructive bone disorders such as osteoporosis, proliferative disorders, infectious diseases and viral diseases.

  本发明提供了I式化合物：这些化合物及其药学上可接受的组合物通常用作激酶抑制剂，特别是作为PRAK、GSK3、ERK2、CDK2、MK2、SRC、SYK和Aurora-2的抑制剂。因此，本发明的化合物和组合物可用于治疗或减轻各种疾病的严重程度，包括但不限于心脏疾病、糖尿病、阿尔茨海默病、免疫缺陷病、炎症性疾病、过敏性疾病、自身免疫性疾病、破坏性骨疾病（如骨质疏松症）、增生性疾病、传染病和病毒性疾病。
• Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0394058A1

  公开（公告）日：1990-10-24

  Herein disclosed are an α-(aminocydonexyl)alkylamine represented by the following general formula (II): wherein R represents hydrogen atom or a lower alkyl group having 1 to 5 carbon atoms, provided that the amino group bonded to the cyclohexyl group may be in either of the 2-, 3- and 4-positions and a method for preparing it; an a-(isocyanatocyclohexyl)alkylisocyanate of Formula (II) wherein the amino groups are replaced with isocyanato groups and a method for preparing it; polyisocyanato-isocyanurate represented by the following general formula (IV): wherein Ri, R2 and R3 may be the same or different and each represents a group represented by the following general formula: wherein R represents hydrogen atom or an alkyl group having 1 to 5 carbon atoms and n is an integer ranging from 1 to 5 and a method for preparing it; and a resin obtained by polymerizing an organic polyisocyanate containing not lower than 10% by weight of the polyisocyanato-isocyanurate represented by Formula (IV) and a compound having at least two active hydrogen atoms as well as a resin composition for coating materials which comprises the resin.

  本发明公开了由以下通式(II)代表的α-(氨基环己基)烷基胺： 其中 R 代表氢原子或具有 1 至 5 个碳原子的低级烷基，但与环己基键合的氨基可位于 2、3 和 4 位中的任一位置；式（II）的 a-(异氰基环己基)烷基异氰酸酯（其中氨基被异氰酸基取代）及其制备方法；由以下通式（IV）表示的聚异氰酸酯： 其中 Ri、R2 和 R3 可以相同或不同，且各自代表下式通式所代表的基团： 其中 R 代表氢原子或具有 1 至 5 个碳原子的烷基，n 为 1 至 5 的整数，以及制备方法；通过聚合有机多异氰酸酯获得的树脂，该有机多异氰酸酯含有不低于 10%（按重量计）的由式(IV)代表的多异氰酸酯和至少具有两个活泼氢原子的化合物，以及包含该树脂的用于涂层材料的树脂组合物。
• Compounds and methods for kinase modulation, and indications therefor
  申请人：Plexxikon Inc.

  公开号：US10301280B2

  公开（公告）日：2019-05-28

  Compounds active on c-kit protein kinases or mutant c-kit protein kinases having any mutations are described, as well as methods of making and using such compounds to treat diseases and conditions associated with aberrant activity of the c-kit protein kinases and/or mutant c-kit protein kinases.

  本文描述了对具有任何突变的 c-kit 蛋白激酶或突变 c-kit 蛋白激酶具有活性的化合物，以及制造和使用此类化合物治疗与 c-kit 蛋白激酶和/或突变 c-kit 蛋白激酶活性异常有关的疾病和病症的方法。
• Grandberg et al., Zhurnal Obshchei Khimii, 1959, vol. 29, p. 2537,2540; engl. Ausg. S. 2499, 2502
  作者：Grandberg et al.

  DOI：——

  日期：——
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：EP2935248B1

  公开（公告）日：2018-02-28