N-(4-甲氧苄基)环丁胺 | 1181382-84-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-甲氧苄基)环丁胺
• 英文名称: N-(4-methoxybenzyl)cyclobutanamine
• 英文别名: N-[(4-methoxyphenyl)methyl]cyclobutanamine
• CAS: 1181382-84-2
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: KWPXRGPYGNBPNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-甲氧苄基)环丁胺 、 3,4-二甲氧基苯磺酰氯 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到N-cyclobutyl-3,4-dimethoxy-N-(4-methoxybenzyl)benzenesulfonamide
  参考文献：
  名称：

  Examining the structure-activity relationship of benzopyran-based inhibitors of the hypoxia inducible factor-1 pathway

  摘要：

  Many forms of solid tumor have a characteristic feature known as hypoxia, which describes a low or nonexistent presence of oxygen in the cellular microenvironment. This decrease in oxygen causes activation of the hypoxia inducible factor (HIF) pathway, which activates the transcription of many genes that cause cell proliferation, metastasis, increased glycolysis and angiogenesis. Increased HIF expression has been linked with poor patient prognosis, increased malignancy, and therapeutic resistance. Previous work in our lab has identified 1 and 2 as inhibitors of the HIF pathway, specifically as disrupters of the p300-HIF-1 alpha complex formation. A library of sulfonamide analogs has been designed and synthesized with the intent of examining the SAR of this series of compounds and improving potency and physicochemical properties as compared with lead compounds 1 and 2. At the end, we have achieved a thorough understanding of the structural features critical for future optimization work. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.02.073
• 作为产物：
  描述：

  环丁基胺 、 4-甲氧基苯甲醛 在 magnesium(II) perchlorate 、 sodium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 16.75h， 以82%的产率得到N-(4-甲氧苄基)环丁胺
  参考文献：
  名称：

  [EN] IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS
  [FR] IMIDAZOPYRIDAZINECARBONITRILES POUVANT ÊTRE EMPLOYÉS EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  该发明提供了式（I）的化合物及其药用可接受的盐。式（I）的咪唑吡啶嗪抑制蛋白激酶活性，因此使它们作为抗癌药物有用。

  公开号：

  WO2010042699A1

文献信息

• PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES
  申请人：Michaelides Michael R.

  公开号：US20110281842A1

  公开（公告）日：2011-11-17

  The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein A, B, R 1 , R 2 , R 3 , R 4a , R 5 , and Z are defined in the description. The present invention relates also to methods of making said compounds, and compositions containing said compounds which are useful for inhibiting kinases such as aurora.

  本发明涉及式(I)的化合物或药用可接受的盐，其中A、B、R1、R2、R3、R4a、R5和Z在描述中有定义。本发明还涉及制备所述化合物的方法，以及含有所述化合物的组合物，用于抑制aurora等激酶。
• IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS
  申请人：Fink Brian E.

  公开号：US20100113458A1

  公开（公告）日：2010-05-06

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The Formula (I) imidazopyridazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  该发明提供了式(I)的化合物及其药学上可接受的盐。式(I)的咪唑吡啶酮类化合物抑制蛋白激酶活性，因此可用作抗癌剂。
• Imidazopyridazinecarbonitriles useful as kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US08252795B2

  公开（公告）日：2012-08-28

  The invention provides compounds of Formula (I) and pharmaceutically acceptable salts thereof. The Formula (I) imidazopyridazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  本发明提供公式（I）的化合物及其药学上可接受的盐。公式（I）的咪唑吡啶酮类化合物抑制蛋白激酶活性，因此它们可用作抗癌剂。
• JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE
  申请人：Shanghai Synergy Pharmaceutical Sciences Co., Ltd

  公开号：EP3939979A1

  公开（公告）日：2022-01-19

  Related are a JAK kinase inhibitor, a preparation method for same, and applications thereof in the field of medicine, related to the field of medicinal chemistry. Provided is a novel small molecule JAK inhibitor, which has the structure as represented by formula (II). The compound provides improved efficacy and safeness in preventing or treating a JAK-related indication.

  涉及一种JAK激酶抑制剂、其制备方法及其在医药领域的应用，与药物化学领域相关。本发明提供了一种新型小分子 JAK 抑制剂，其结构如式 (II) 所示。该化合物在预防或治疗 JAK 相关适应症方面具有更好的疗效和安全性。
• [EN] JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE<br/>[FR] INHIBITEUR DE KINASE JAK, SON PROCÉDÉ DE PRÉPARATION ET SES APPLICATIONS DANS LE DOMAINE DE LA MÉDECINE<br/>[ZH] JAK激酶抑制剂及其制备方法和在医药领域的应用
  申请人：SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD

  公开号：WO2020182159A1

  公开（公告）日：2020-09-17

  涉及JAK激酶抑制剂及其制备方法和在医药领域的应用，属于医药化学领域。提供了一类新的小分子JAK抑制剂，其具有通式（II）所示的结构；所述化合物在预防或治疗JAK相关适应症中具有更好药效和安全性。