2-(piperazin-1-yl)acetaldehyde | 1247549-57-0

• 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: 2-(piperazin-1-yl)acetaldehyde
• 英文别名: L-piperazin-1-yl-ethanone；Monooxyethylpiperazin；2-piperazin-1-ylacetaldehyde
• CAS: 1247549-57-0
• 化学式: C₆H₁₂N₂O
• 分子量: 128.174
• InChiKey: GVFJYCZQRILOMX-UHFFFAOYSA-N

物化性质

• 沸点：
  205.2±25.0 °C(Predicted)
• 密度：
  0.997±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(piperazin-1-yl)acetaldehyde 、 对氟硝基苯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 生成 1-乙酰基-4-(4-硝基苯基)哌嗪
  参考文献：
  名称：

  [EN] PYRIMIDINE COMPOUNDS
  [FR] COMPOSES DE PYRIMIDINE

  摘要：

  本发明涉及式(I)的取代嘧啶化合物，它们的制备，含有它们的药物组合物，以及它们作为细胞周期依赖性激酶（CDKs）抑制剂的用途，因此可用于治疗增殖性疾病和/或病毒性疾病。

  公开号：

  WO2004043953A1
• 作为产物：
  描述：

  cetirizine dihydrochloride 在 laccase from Aspergillus oryzae 作用下， 以 aq. phosphate buffer 为溶剂， 生成 2-(piperazin-1-yl)acetaldehyde 、 4-氯二苯基甲烷 、 2-[4-[(4-氯苯基)苯基甲基]哌嗪-1-基]乙醇
  参考文献：
  名称：

  Ultrasound assisted enzyme catalyzed degradation of Cetirizine dihydrochloride

  摘要：

  Cetirizine dihydrochloride, a pharmaceutical drug of the class antihistamines is frequently detected in wastewater samples. In the present work, the degradation of Cetirizine dihydrochloride is carried out using a novel technique of laccase enzyme as a catalyst under the influence of ultrasound irradiation. Effect of various process parameters such as enzyme loading, temperature, power, duty cycle, frequency and speed of agitation has been studied along with identification of the degradation intermediates. The maximum degradation of 91% is achieved at optimized experimental parameters such as 0.02% enzyme loading (w/v), 50 degrees C temperature, power input of 100W, 25 kHz frequency and 50% duty cycle with agitation speed of 200 rpm. It is observed that enzymatic degradation of Cetirizine dihydrochloride under the influence of ultrasound irradiation not only enhances the degradation but also reduces the time of degradation as compared to conventional enzymatic degradation technique. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2014.10.016

文献信息

• [EN] NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF<br/>[FR] STÉROÏDES NEUROACTIFS, COMPOSITIONS ET UTILISATIONS
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2015027227A1

  公开（公告）日：2015-02-26

  Described herein are neuroactive steroids of the Formula (I): or a pharmaceutically acceptable salt thereof; wherein -------, R1, R2, R5, A and L are as defined herein. Such compounds are envisioned, in certain embodiments, to behave as GABA modulators. The present invention also provides pharmaceutical compositions comprising a compound of the present invention and methods of use and treatment, e.g., such for inducing sedation and/or anesthesia.

  本文描述了化学式（I）中的神经活性类固醇或其药用可接受盐；其中-------，R1，R2，R5，A和L如本文所定义。在某些实施例中，预期这些化合物将表现为GABA调节剂。本发明还提供了包括本发明化合物的药物组合物以及使用和治疗方法，例如用于诱导镇静和/或麻醉的方法。
• [EN] CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME<br/>[FR] COMPOSÉS CARBAMATES ET LEUR PROCÉDÉ DE FABRICATION ET D'UTILISATION
  申请人：ABIDE THERAPEUTICS

  公开号：WO2013142307A1

  公开（公告）日：2013-09-26

  Provided herein are carbamate compounds which may be useful in the treatment of, for example, pain, solid tumors and/or obesity.

  本文提供的是可能在治疗疼痛、实体肿瘤和/或肥胖等方面有用的氨基甲酸酯化合物。
• [EN] 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE<br/>[FR] DÉRIVÉS DE 6-PHÉNYL OU 6-(PYRIDIN-3-YL)INDAZOLE ET PROCÉDÉS D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2015112445A1

  公开（公告）日：2015-07-30

  Compounds of formula (I) and pharmaceutically acceptable salts, esters, amides, or radiolabelled forms thereof, wherein R1, R2, R3, R4, R5, R6, and X are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by Tropomysin receptor kinases (Trk). Methods for making the compounds are disclosed. Also disclosed are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  公式(I)的化合物以及药用可接受的盐、酯、酰胺或放射性标记形式，其中R1、R2、R3、R4、R5、R6和X如说明书所述，可用于治疗通过Tropomysin受体激酶（Trk）预防或改善的状况或疾病。公开了制造这些化合物的方法。还公开了公式(I)化合物的药物组合物，以及使用这些化合物和组合物的方法。
• [EN] CARBOCYCLIC SULFONE RORγ MODULATORS<br/>[FR] COMPOSÉS SULFONE CARBOCYCLIQUE SERVANT DE MODULATEURS DE RORΓ
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015103508A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药，其中所有取代基在此处定义。还提供了包含这些化合物的药物组合物。这些化合物和组合物在调节细胞中的RORγ活性的方法以及治疗患有疾病或紊乱的受试者的方法中是有用的，其中受试者在调节RORγ活性方面会从中获益，例如自身免疫和/或炎症性疾病。
• [EN] BROMODOMAIN INHIBITORS<br/>[FR] INHIBITEURS DE BROMODOMAINE
  申请人：ABBVIE INC

  公开号：WO2014206150A1

  公开（公告）日：2014-12-31

  The present invention provides for compounds of formula (I). wherein Rx, Ry, Rx1, L1, G1, A1, A2, A3, and A4 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions, including inflammatory diseases, cancer, and AIDS. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了式（I）的化合物。其中Rx、Ry、Rx1、L1、G1、A1、A2、A3和A4具有规范中定义的任何值，并且其药学上可接受的盐，可用作治疗疾病和病症的药剂，包括炎症性疾病、癌症和艾滋病。还提供了由一种或多种式（I）的化合物组成的药物组合物。