tert-butyl 4-(quinazolin-4-yl)piperazine-1-carboxylate | 827598-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(quinazolin-4-yl)piperazine-1-carboxylate
• 英文别名: 4-(quinazolin-4-yl)piperazine-1-carboxylic acid tert-butyl ester；tert-butyl 4-quinazolin-4-ylpiperazine-1-carboxylate
• CAS: 827598-29-8
• 化学式: C₁₇H₂₂N₄O₂
• mdl: MFCD26127321
• 分子量: 314.387
• InChiKey: FXCHRPGMDVFZBO-UHFFFAOYSA-N

物化性质

• 沸点：
  469.9±35.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 储存条件：
  存储条件：2-8°C，干燥且密封。

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(quinazolin-4-yl)piperazine-1-carboxylate 在 N-甲基吗啉 、 盐酸 、 sodium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 13.0h， 生成 [1-(4-chloro-2-methylbenzyl)-2-oxo-2-(4-quinazolin-4-yl-piperazin-1-yl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  [EN] AKT PROTEIN KINASE INHIBITORS
  [FR] INHIBITEURS DE LA PROTEINE KINASE AKT

  摘要：

  公开号：

  WO2005051304A3
• 作为产物：
  描述：

  4-氯喹唑啉 、 N-Boc-哌嗪 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 tert-butyl 4-(quinazolin-4-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of AKT inhibitors bearing a piperidin-4-yl appendant

  摘要：

  化合物10h是一种强效的泛AKT抑制剂，在PC-3前列腺癌细胞中显示细胞AKT抑制和诱导凋亡。

  DOI：

  10.1039/c8md00197a

文献信息

• 含氨甲基的哌嗪酮类化合物及其制备方法和应用
  申请人：山东大学

  公开号：CN108503645A

  公开（公告）日：2018-09-07

  本发明公开了一种含氨甲基的哌嗪酮类化合物及其制备方法和应用。该类化合物具有如通式(I)所示的结构。本发明还提供该化合物的制备方法及应用。本发明的化合物具有一定的抑制AKT1激酶的活性和对PC‑3肿瘤细胞的生长抑制活性，用于制备抗肿瘤药物。
• 含哌啶环的哌嗪酮类化合物及其制备方法和应用
  申请人：山东大学

  公开号：CN108358936A

  公开（公告）日：2018-08-03

  本发明公开了一种含哌啶环的哌嗪酮类化合物及其制备方法和应用。该类化合物具有如通式(I)所示的结构。本发明还提供该化合物的制备方法及应用。本发明的化合物具有一定的抑制AKT1激酶的活性和对PC‑3肿瘤细胞的生长抑制活性，用于制备抗肿瘤药物。
• Molecular docking and synthesis of novel quinazoline analogues as inhibitors of transcription factors NF-κB activation and their anti-cancer activities
  作者：Lu Xu、Wade A. Russu

  DOI：10.1016/j.bmc.2012.10.051

  日期：2013.1

  NF-kappa B is a transcription factor protein complex that can be found in almost all animal cell types and is a key player in some cancers and inflammatory responses. It can enhance the proliferation rate, reduce apoptosis, as well as creating more blood flow to ensure the survival of cancer, thus blocking the NF-kappa B pathway has potential therapeutic benefit. We designed a series of compounds based on a quinazoline scaffold pharmacophore model which may have high binding affinity with the p50 subunit of NF-kappa B. The compound series with phenyl substitution at the 2 position of the quinazoline proved to be more effective at inhibiting NF-kappa B function both theoretically and experimentally. These compounds also reduce the proliferation of numerous tumor cell lines and the mean GI(50) for compound 2a is 2.88 mu M against the NCI-60 cell line. At the same time, compound 2a can induce significant apoptosis in EKVX cell line at the concentration of 1 mu M. (C) 2012 Elsevier Ltd. All rights reserved.
• INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES
  申请人：Yeung Kap-Sun

  公开号：US20080132516A1

  公开（公告）日：2008-06-05

  This invention provides compounds of Formula I, including pharmaceutically acceptable salts thereof, having drug and bio-affecting properties, their pharmaceutical compositions and method of use. These compounds possess unique antiviral activity, whether used alone or in combination with other antivirals, antiinfectives, immunomodulators or HIV entry inhibitors. More particularly, the present invention relates to the treatment of HIV and AIDS. The compounds of Formula I have the formula wherein: Z is Q is selected from the group consisting of m is 2; A is selected from the group consisting of cinnolinyl, napthyridinyl, quinoxalinyl, pyridinyl, pyrimidinyl, quinolinyl, isoquinolinyl, quinazolinyl, azabenzofuryl, and phthalazinyl each of which may be optionally substituted with one or two groups independently selected from methyl, methoxy, hydroxy, amino and halogen; and —W— is
• US8039486B2
  申请人：——

  公开号：US8039486B2

  公开（公告）日：2011-10-18