9-(4-(piperazin-1-yl)butyl)-9H-carbazole | 1049253-70-4

• 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: 9-(4-(piperazin-1-yl)butyl)-9H-carbazole
• 英文别名: 9-(4-Piperazin-1-ylbutyl)carbazole
• CAS: 1049253-70-4
• 化学式: C₂₀H₂₅N₃
• 分子量: 307.439
• InChiKey: WWURGVOYCPACDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9-(4-(piperazin-1-yl)butyl)-9H-carbazole 在 potassium carbonate 、 zinc(II) chloride 、 三氯氧磷 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 1,2-bis(2-(4-(4-(9H-3,6-dicarbaldehyde-carbazol-9-yl)butyl)piperazin-1-yl)ethoxy)ethane
  参考文献：
  名称：

  New dimeric carbazole–benzimidazole mixed ligands for the stabilization of human telomeric G-quadruplex DNA and as telomerase inhibitors. A remarkable influence of the spacer

  摘要：

  G-四链体DNA结合二聚配体及其端粒酶抑制活性已被报道。

  DOI：

  10.1039/c5ob00675a
• 作为产物：
  描述：

  咔唑 在 四丁基碘化铵 、 potassium carbonate 、 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 6.0h， 生成 9-(4-(piperazin-1-yl)butyl)-9H-carbazole
  参考文献：
  名称：

  New dimeric carbazole–benzimidazole mixed ligands for the stabilization of human telomeric G-quadruplex DNA and as telomerase inhibitors. A remarkable influence of the spacer

  摘要：

  G-四链体DNA结合二聚配体及其端粒酶抑制活性已被报道。

  DOI：

  10.1039/c5ob00675a

文献信息

• SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION
  申请人：Mercola Mark

  公开号：US20100159596A1

  公开（公告）日：2010-06-24

  Methods and small molecule compounds for stem cell differentiation are provided. One example of a class of compounds that may be used is represented by the compound having the structure IA or IB in the form of free base or a pharmaceutically acceptable salt, hydrate, solvate or N-oxide thereof: R 1 is independently hydrogen or (C 1 -C 6 )alkyl; R 2 is independently hydrogen, (C 1 -C 6 )alkyl, aryl, or heteroaryl; R 2′ is independently hydrogen, (C 1 -C 6 )alkyl, CF 3 or C 2 F 5 ; R 3 is independently (C 1 -C 6 )alkyl, aryl, 2-tetrahydrofurylmethyl, an aliphatic tertiary amine, or 4-methoxybenzyl; or R 2 and R 3 may be joined together to form a 5 or 6 member ring lactone; R 4 is independently hydrogen, (C 1 -C 6 )alkyl, a 2- or 4-R 5 -substituted aromatic ring selected from a 4-R 5 -phenyl or a 2-R 5 -5-pyridyl, aryl, heteroaryl, aliphatic tertiary amine or halogen; and R 5 , R 5′ , R 6 , R 6′ , R 7 , R 7′ , are each independently hydrogen, (C 1 -C 6 )alkyl, aryl, optionally substituted phenyl, heteroaryl, a heterocyclic ring, an aliphatic tertiary amine, or halogen.

  提供干细胞分化的方法和小分子化合物。可以使用的一类化合物的一个示例由结构IA或IB表示，以自由碱基或其药学上可接受的盐，水合物，溶剂或N-氧化物的形式存在：R1独立地是氢或（C1-C6）烷基; R2独立地是氢，（C1-C6）烷基，芳基或杂环芳基; R2'独立地是氢，（C1-C6）烷基，CF3或C2F5; R3独立地是（C1-C6）烷基，芳基，2-四氢呋喃甲基，脂肪族三级胺或4-甲氧基苄基; 或者R2和R3可以结合形成5或6元环内酯; R4独立地是氢，（C1-C6）烷基，2-或4-R5-取代的芳环，选自4-R5-苯基或2-R5-5-吡啶基，芳基，杂环芳基，脂肪族三级胺或卤素; R5，R5'，R6，R6'，R7，R7'独立地是氢，（C1-C6）烷基，芳基，可选取代的苯基，杂环芳基，杂环环，脂肪族三级胺或卤素。
• Structure–activity relationship studies of the chromosome segregation inhibitor, Incentrom A
  作者：Hee-Yoon Lee、Yongsik Jung、Wonyeob Kim、Jin Hee Kim、Min-Soo Suh、Seung Koo Shin、Hye-Joo Yoon

  DOI：10.1016/j.bmcl.2008.07.006

  日期：2008.8

  A series of Incentrom A analogs that inhibit the chromosome segregation process in yeast were synthesized and tested for their effects on chromosome stability and cell proliferation. Pharmacophore and structure-activity relationship of Incentrom A for the anti-yeast activity were established. (C) 2008 Elsevier Ltd. All rights reserved.
• US9012217B2
  申请人：——

  公开号：US9012217B2

  公开（公告）日：2015-04-21
• New dimeric carbazole–benzimidazole mixed ligands for the stabilization of human telomeric G-quadruplex DNA and as telomerase inhibitors. A remarkable influence of the spacer
  作者：Basudeb Maji、Krishan Kumar、K. Muniyappa、Santanu Bhattacharya

  DOI：10.1039/c5ob00675a

  日期：——

  G-quadruplex DNA binding dimeric ligands and their telomerase inhibition activity are reported.

  G-四链体DNA结合二聚配体及其端粒酶抑制活性已被报道。