8-phenyl-2,4,5,6-tetrahydro-1H-pyrazino<3,2,1-jk>carbazole | 134285-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 8-phenyl-2,4,5,6-tetrahydro-1H-pyrazino<3,2,1-jk>carbazole
• 英文别名: 8-Phenyl-2,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazole；12-phenyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaene
• CAS: 134285-29-3
• 化学式: C₂₀H₁₈N₂
• mdl: MFCD04028018
• 分子量: 286.376
• InChiKey: WXPVMCVBNSRZQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.3
• 氢给体数：
  0
• 氢受体数：
  1

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	8-phenyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino<3,2,1-jk>carbazole	134285-27-1	C20H20N2	288.392
  ——	6-phenyl-1-keto-1,2,3,4-tetrahydrocarbazole	134285-24-8	C18H15NO	261.323

反应信息

• 作为反应物：
  描述：

  8-phenyl-2,4,5,6-tetrahydro-1H-pyrazino<3,2,1-jk>carbazole 、 甲烷磺酸 生成 Methanesulfonate;12-phenyl-1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-4,9(16),10(15),11,13-pentaene
  参考文献：
  名称：

  AKALAEVA, T. V.;ANDREEVA, N. I.;BOKANOV, A. I.;IVANOV, P. YU.;CHISTYAKOV,+, XIM.-FARMATS. ZH., 25,(1991) N, S. 27-29

  摘要：

  DOI：
• 作为产物：
  描述：

  6-phenyl-1-keto-1,2,3,4-tetrahydrocarbazole 在 sodium hydroxide 、 sodium tetrahydroborate 、 氯化亚砜 、 四丁基溴化铵 、 溶剂黄146 、 mercury(II) oxide 作用下， 以 水 、 N,N-二甲基甲酰胺 、 xylene 、 苯 为溶剂， 反应 11.5h， 生成 8-phenyl-2,4,5,6-tetrahydro-1H-pyrazino<3,2,1-jk>carbazole
  参考文献：
  名称：

  Synthesis and pharmacological examination of hydrogenated 8-phenyl-1H-pyrazino-[3,2,1-jk]carbazoles

  摘要：

  DOI：

  10.1007/bf00766565

文献信息

• Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10000511B2

  公开（公告）日：2018-06-19

  This invention relates to compounds which selectively bind to the survival protein MCL-1 with high affinity and selectivity, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for modulating MCL-1 activity and for treating hyperproliferative disorders, angiogenesis disorders, cell cycle regulation disorders, autophagy regulation disorders, inflammatory disorders, and/or infectious disorders and/or for enhancing cellular engraftment and/or wound repair, as a sole agent or in combination with other active ingredients.

  本发明涉及以高亲和力和选择性与存活蛋白 MCL-1 选择性结合的化合物、含有此类化合物的药物组合物，以及使用这些化合物或组合物调节 MCL-1 活性和治疗过度增殖性疾病、血管生成疾病、细胞周期调节疾病、自噬调节疾病、炎症性疾病和/或感染性疾病和/或增强细胞移植和/或伤口修复，可作为单独制剂或与其他活性成分组合使用。
• AKALAEVA, T. V.;ANDREEVA, N. I.;BOKANOV, A. I.;IVANOV, P. YU.;CHISTYAKOV,+, XIM.-FARMATS. ZH., 25,(1991) N, S. 27-29
  作者：AKALAEVA, T. V.、ANDREEVA, N. I.、BOKANOV, A. I.、IVANOV, P. YU.、CHISTYAKOV,+

  DOI：——

  日期：——
• SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS
  申请人：Walensky Loren D.

  公开号：US20130035304A1

  公开（公告）日：2013-02-07

  This invention relates to compounds which selectively bind to the survival protein MCL-1 with high affinity and selectivity, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for modulating MCL-1 activity and for treating hyperproliferative disorders, angiogenesis disorders, cell cycle regulation disorders, autophagy regulation disorders, inflammatory disorders, and/or infectious disorders and/or for enhancing cellular engraftment and/or wound repair, as a sole agent or in combination with other active ingredients.
• COMPOUNDS AND THERAPEUTIC USES
  申请人：Unity Biotechnology, Inc.

  公开号：US20170281649A1

  公开（公告）日：2017-10-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.
• Synthesis and pharmacological examination of hydrogenated 8-phenyl-1H-pyrazino-[3,2,1-jk]carbazoles
  作者：T. V. Akalaeva、N. I. Andreeva、A. I. Bokanov、P. Yu. Ivanov、V. V. Chistyakov、V. I. Shvedov

  DOI：10.1007/bf00766565

  日期：1991.2