suberamic acid methyl ester | 123865-74-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: suberamic acid methyl ester
• 英文别名: Methyl 8-amino-8-oxooctanoate
• CAS: 123865-74-7
• 化学式: C₉H₁₇NO₃
• 分子量: 187.239
• InChiKey: BQBYSJGILRBPLC-UHFFFAOYSA-N

物化性质

• 熔点：
  76.5-78.0 °C
• 沸点：
  331.6±25.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  suberamic acid methyl ester 在 劳森试剂 、 sodium hydroxide 作用下， 以 甲醇 、 苯 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  A novel series of histone deacetylase inhibitors incorporating hetero aromatic ring systems as connection units

  摘要：

  A series of structurally novel HDAC inhibitors, in which a hetero aromatic ring connects the spacer with the hydrophobic group, has been designed and synthesized. These new inhibitors are very potent in in vitro enzymatic assays and display antiproliferation activity against two human cancer cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.012
• 作为产物：
  描述：

  辛二酸单甲酯 在 草酰氯 、 ammonium carbonate 作用下， 生成 suberamic acid methyl ester
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF
  [FR] INHIBITEURS À PETITES MOLÉCULES D'AUTOPHAGIE ET D'HISTONE DÉSACÉTYLASE ET LEURS UTILISATIONS

  摘要：

  这项发明属于药物化学领域。特别是，该发明涉及一类新的小分子，具有喹啉或噻吨酮（或类似）结构，可作为自噬抑制剂和/或组蛋白脱乙酰酶抑制剂发挥作用，并用作治疗以异常自噬活性 和/或异常HDAC活性（例如，癌症、肺动脉高压、糖尿病、神经退行性疾病、衰老、心脏病、类风湿性关节炎、感染性疾病、病毒感染（例如，COVID-19）引起的状况和症状）为特征的疾病的治疗方法。

  公开号：

  WO2021087077A1

文献信息

• [EN] ANTIBACTERIAL BENZOIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDES BENZOIQUES ANTIBACTERIENS
  申请人：UPJOHN CO

  公开号：WO2004018428A1

  公开（公告）日：2004-03-04

  The invention provides antimicrobial agents and methods of using the agents for sterilization, sanitation, antisepsis, disinfection, and treatment of infections in mammals.

  这项发明提供了抗菌剂和使用这些剂进行哺乳动物的消毒、卫生、防腐、消毒和治疗感染的方法。
• Discovery of 2,4-pyrimidinediamine derivatives as potent dual inhibitors of ALK and HDAC
  作者：Tao Pan、Yanrong Dan、Dafeng Guo、Junhao Jiang、Dongzhi Ran、Lin Zhang、Binghua Tian、Jianyong Yuan、Yu Yu、Zongjie Gan

  DOI：10.1016/j.ejmech.2021.113672

  日期：2021.11

  Combination of anaplastic lymphoma kinase (ALK) inhibitor with histone deacetylases (HDAC) inhibitor could exert synergistically anti-proliferative effects on ALK positive non-small cell lung cancer (NSCLC) naïve or resistant cells. In this work, we designed and synthesized a series of 2,4-pyrimidinediamine derivatives as dual ALK and HDAC inhibitors based on pharmacophore merged strategy. Among which

  间变性淋巴瘤激酶 (ALK) 抑制剂与组蛋白去乙酰化酶 (HDAC) 抑制剂的组合可以对 ALK 阳性非小细胞肺癌 (NSCLC) 幼稚或耐药细胞产生协同抗增殖作用。在这项工作中，我们基于药效团合并策略设计并合成了一系列 2,4-嘧啶二胺衍生物作为 ALK 和 HDAC 双重抑制剂。其中，化合物10f 分别对 ALK (IC 50  = 2.1 nM) 和 HDAC1 (IC 50  = 7.9 nM)显示出最有效且平衡的抑制活性。特别是，10f对经常观察到的克唑替尼耐药 ALK L1196M也有效（IC 50 = 1.7 nM) 以及耐色瑞替尼的 ALK G1202R (IC 50  = 0.4 nM) 突变体。在抗增殖活性测定中，10f在低微摩尔浓度下对 ALK 成瘾的癌细胞系表现出令人印象深刻的活性，这与克唑替尼和色瑞替尼相当。进一步的流式细胞术分析表明，10f可以通过细胞凋亡和细胞
• Antibacterial benzoic acid derivatives
  申请人：——

  公开号：US20040110802A1

  公开（公告）日：2004-06-10

  The invention provides antimicrobial agents and methods of using the agents for sterilization, sanitation, antisepsis, disinfection, and treatment of infections in mammals.

  这项发明提供了抗微生物药剂及其使用方法，用于哺乳动物的消毒、卫生、防腐、消毒和治疗感染。
• [EN] COMPOUNDS AND METHODS OF TREATING DISEASES<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE MALADIES
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2022068933A1

  公开（公告）日：2022-04-07

  Provided are heterobifunctional compounds (e.g., bi-functional small molecule compounds), compositions comprising one or more of the heterobifunctional compounds, methods of use the heterobifunctional compounds for the treatment of certain disease in a subject in need thereof, and methods for identifying such heterobifunctional compounds.

  提供了异双功能化合物（例如，双功能小分子化合物），包含一种或多种异双功能化合物的组合物，使用异双功能化合物治疗患有某些疾病的需要的受试者的方法，以及鉴定此类异双功能化合物的方法。
• Protein Kinase C Translocation by Modified Phorbol Esters with Functionalized Lipophilic Regions
  作者：Thomas M. Bertolini、Jennifer Giorgione、Daniel F. Harvey、Alexandra C. Newton

  DOI：10.1021/jo030029w

  日期：2003.6.1

  Several novel phorbol esters were prepared with polar functional groups terminating their C12 and/or C13 acyl chains. Designed to be inhibitory protein kinase C (PKC) ligands, these phorbol analogues contain various polar functional groups (amide, ester, carboxylic acid, or quaternary ammonium salt) to prevent membrane insertion of the PKC-phorbol ester complex. All phorbol derivatives were synthesized with use of diterpene starting materials obtained from croton oil, the seed oil of Croton tiglium. The ability of these derivatives to recruit PKC to the lipid bilayer-a usual requirement for enzyme activation-was determined by using a sucrose-loaded vesicle assay. Phorbol 12-octanoate-13-acetate derivatives translocate PKC-betaII to increasing degrees as the functionality on the C12 ester becomes more hydrophobic. Likewise, PKC translocation by carboxylic acid-containing phorbol esters was dependent upon length and saturation of the hydrocarbon tether. The most promising PKC inhibitors had short carboxylic acids capping their C12 and C13 acyl chains, since these compounds did not recruit PKC to any appreciable extent.