tert-butyl 4-(3-cyano-4-nitrophenyl)piperazine-1-carboxylate | 150004-56-1

• 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-(3-cyano-4-nitrophenyl)piperazine-1-carboxylate
• CAS: 150004-56-1
• 化学式: C₁₆H₂₀N₄O₄
• 分子量: 332.359
• InChiKey: ZQKSJCCHNSJBKS-UHFFFAOYSA-N

物化性质

• 沸点：
  519.4±50.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(3-cyano-4-nitrophenyl)piperazine-1-carboxylate 在 盐酸 、 水 、 铁粉 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.5h， 生成 N-{3-methyl-4-[(3R)-oxan-3-yloxy]phenyl}-6-(piperazin-1-yl)quinazolin-4-amine
  参考文献：
  名称：

  [EN] ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2
  [FR] DÉRIVÉS DE QUINAZOLINE HÉTÉROCYCLIQUES ACYLÉS UTILISÉS EN TANT QU'INHIBITEURS DE ERBB2

  摘要：

  The present disclosure relates generally to compounds and compositions thereof for inhibition of ErbB2, including mutant forms of ErbB2, particularly those harboring an Exon 20 mutation, methods of preparing said compounds and compositions, and their use in the treatment or prophylaxis of various cancers, such as lung, glioma, skin, head neck, salivary gland, breast, esophageal, liver, stomach (gastric), uterine, cervical, biliary tract, pancreatic, colorectal, renal, bladder or prostate cancer.

  公开号：

  WO2023154124A1
• 作为产物：
  描述：

  5-氟-2-硝基苯腈 、 tert-butyl piperazine-1-carboxylate hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 tert-butyl 4-(3-cyano-4-nitrophenyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS DE 6-HÉTÉROCYCLOALKYLE-QUINAZOLINE ET LEURS UTILISATIONS

  摘要：

  本公开涉及式（I）的化合物及其药学上可接受的盐和立体异构体，用于治疗与ErbB致癌活性相关的癌症，包括制备该化合物的方法，包含该化合物的组合物，以及使用该化合物的方法（例如，用于治疗癌症）。

  公开号：

  WO2022266458A1

文献信息

• BICYCLIC INHIBITORS OF ALK
  申请人：Vasudevan Anil

  公开号：US20140155389A1

  公开（公告）日：2014-06-05

  The present invention relates to compounds of formula (1) or pharmaceutical acceptable salts, wherein R 1 , X, Y, Z, A, B, G 1 , and n are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as ALK and methods of treating diseases such as cancer.

  本发明涉及公式（1）的化合物或药物可接受的盐，其中R1、X、Y、Z、A、B、G1和n在说明书中有定义。本发明还涉及含有所述化合物的组合物，其对抑制激酶如ALK具有用处，以及用于治疗癌症等疾病的方法。
• Quinazolinones and pyridopyrimidinones useful as angiotensin II antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0534706A1

  公开（公告）日：1993-03-31

  Substituted quinazolinones and pyridopyrimidines of structural formula 1 are angiotensin II antagonists useful in the treatment of disorders related to the renin-angiotensin system (RAS) such as hypertension, congestive heart failure, ocular hypertension and certain CNS disorders.

  结构式 1 的取代喹唑啉酮类和吡啶嘧啶类化合物 是血管紧张素 II 拮抗剂，可用于治疗与肾素-血管紧张素系统（RAS）有关的疾病，如高血压、充血性心力衰竭、眼压升高和某些中枢神经系统疾病。
• Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment
  作者：Wenwen Liu、Huan Wang、Xiaokang Li、Yixiang Xu、Jian Zhang、Wei Wang、Qi Gong、Xiaoxia Qiu、Jin Zhu、Fei Mao、Haiyan Zhang、Jian Li

  DOI：10.1016/j.bmc.2018.04.037

  日期：2018.7

  Depression, a severe mental disease, is greatly difficult to treat and easy to induce other neuropsychiatric symptoms, the most frequent one is cognitive impairment. In this study, a series of novel vilazodonetacrine hybrids were designed, synthesized and evaluated as multitarget agents against depression with cognitive impairment. Most compounds exhibited good multitarget activities and appropriate blood-brain barrier permeability. Specifically, compounds 1d and 2a exhibited excellent 5-HT1A agonist activities (1d, EC50 = 0.36 +/- 0.08 nM; 2a, EC50 = 0.58 +/- 0.14 nM) and 5-HT reuptake inhibitory activities (1d, IC50 = 20.42 +/- 6.60 nM; 2a, IC50 = 22.10 +/- 5.80 nM). In addition, they showed moderate ChE inhibitory activities (1d, AChE IC50 = 1.72 +/- 0.217 mu M, BuChE IC50 = 0.34 +/- 0.03 mu M; 2a, AChE IC50 = 2.36 +/- 0.34 mu M, BuChE IC50 = 0.10 +/- 0.01 mu M). Good multitarget activities with goodt blood-brain barrier permeability of 1d and 2a make them good lead compounds for the further study of depression with cognitive impairment. (C) 2018 Elsevier Ltd. All rights reserved.
• US5202322A
  申请人：——

  公开号：US5202322A

  公开（公告）日：1993-04-13
• US5256667A
  申请人：——

  公开号：US5256667A

  公开（公告）日：1993-10-26