4,5,6,7-tetrahydro-azepino<3,2,1-hi>indole | 116476-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 4,5,6,7-tetrahydro-azepino<3,2,1-hi>indole
• 英文别名: 4,5,6,7-tetrahydroazepino[3,2,1-hi]indole；4,5,6,7-tetrahydro-pyrrolo-[3,2,1-jk]-1-benzazepine；1-Azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
• CAS: 116476-45-0
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: DUKVUMSZZMFYOE-UHFFFAOYSA-N

物化性质

• 熔点：
  38-38.5 °C(Solv: methanol (67-56-1))
• 沸点：
  332.3±11.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4,5,6,7-tetrahydro-azepino<3,2,1-hi>indole 在 sodium methylate 作用下， 以 乙醚 为溶剂， 生成 (4,5,6,7-tetrahydroazepino[3,2,1-hi]indol-1-yl)oxo-acetic acid methyl ester
  参考文献：
  名称：

  1,7-Annulated indolocarbazoles as cyclin-dependent kinase inhibitors

  摘要：

  The synthesis and kinase inhibitory activity of a series of novel 1,7-annulated indolocarbazoles 6 and 16 is described. These compounds exhibited potent inhibitory activity against cyclin-dependent kinase 4 and good antiproliferative activity in a human colon carcinoma cell line. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.105
• 作为产物：
  描述：

  2-Chloro-2-methylsulfanyl-1-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-ethanone 在 lithium aluminium tetrahydride 、 W-2 Raney Ni 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 7.83h， 生成 4,5,6,7-tetrahydro-azepino<3,2,1-hi>indole
  参考文献：
  名称：

  Katayama, Hajime; Maeda, Kaijiro; Kaneko, Kimiyoshi, Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 937 - 942

  摘要：

  DOI：

文献信息

• [EN] PURINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE LA PURINE EN TANT QU'INHIBITEURS DE LA KINASE
  申请人：LILLY CO ELI

  公开号：WO2003076442A1

  公开（公告）日：2003-09-18

  The present invention provides kinase inhibitors of Formula I.

  本发明提供了化合物I的激酶抑制剂。
• Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization
  作者：Arun Jyoti Borah、Zhuangzhi Shi

  DOI：10.1021/jacs.8b03560

  日期：2018.5.16

  The Rh-catalyzed, remote terminal hydroarylation of active olefins at the C7-position of indoles and the ortho-position of indolines and anilines with the appropriate choice of a N-P tBu2 directing group through long-range deconjugative isomerization has been reported. This transformation not only overcomes the conjugate rule of Michael acceptors but also controls the positional selectivity of indoles

  The Rh-catalyzed, remote terminal hydroarylation of active olefins at the C7-position of indoles and the ortho-position of indolines and anilines with the appropriate choice of a NP tBu2 directing group through long-range deconjugative isomerization has been reported. 这种转变不仅克服了迈克尔受体的共轭规则，而且还控制了吲哚的位置选择性，代表了烯烃异构化和吲哚的 CH 烷基化的重大进步。
• Agents and methods for the treatment of proliferative diseases
  申请人：——

  公开号：US20030229026A1

  公开（公告）日：2003-12-11

  The present invention provides selective kinase inhibitors of formula (I). 1

  这项发明提供了式（I）的选择性激酶抑制剂。
• Substituted guanidine derivatives
  申请人：——

  公开号：US20030018056A1

  公开（公告）日：2003-01-23

  A compound represented by the following formula: 1 wherein R is a substituted or unsubstituted benzene ring, a fused polycyclic hydrocarbon ring which is substituted or unsubstituted, a monocyclic heterocyclic ring which is substituted or unsubstituted, a polycyclic heterocyclic ring which is substituted or unsubstituted, A and E are independently a single bond, a lower alkylene group or the like, G is a single bond, an oxygen atom or the like, and Y is a —SO 3 H group or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug is useful as a therapeutic or prophylactic agent for diseases caused by the acceleration of the sodium/proton exchange transport system.

  以下化合物的化学式：1其中R是取代或未取代的苯环，取代或未取代的融合多环碳氢环，取代或未取代的单环杂环环，取代或未取代的多环杂环环，A和E分别是单键，低碳烷基或类似物，G是单键，氧原子或类似物，Y是—SO3H基团或类似物，该化合物的前药，或该化合物或前药的药学可接受的盐对于由于钠/质子交换转运系统加速引起的疾病是有用的治疗或预防剂。
• Purine derivatives as kinase inhibitors
  申请人：Engler Albert Thomas

  公开号：US20050090483A1

  公开（公告）日：2005-04-28

  The present invention provides kinase inhibitors of Formula I.

  本发明提供了式I的激酶抑制剂。