(((4-nitrophenoxy)carbonyl)oxy)methyl isobutyrate | 194995-44-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (((4-nitrophenoxy)carbonyl)oxy)methyl isobutyrate
• 英文别名: (4-nitrophenoxy)carbonyloxymethyl 2-methylpropanoate
• CAS: 194995-44-3
• 化学式: C₁₂H₁₃NO₇
• 分子量: 283.238
• InChiKey: OKDMJXVHXRPNNZ-UHFFFAOYSA-N

物化性质

• 沸点：
  406.9±45.0 °C(Predicted)
• 密度：
  1.316±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (((4-nitrophenoxy)carbonyl)oxy)methyl isobutyrate 在 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Mono and bis double ester prodrugs of novel aminomethyl-THF 1β-methylcarbapenems

  摘要：

  Mono and bis double ester prodrugs of aminomethyl THF 1 beta-methylcarbapenems 1 were Mono double ester derivatives (2, 4 and 7) did not demonstrate significantly improved oral activity due to the presence of the charged species. However, bis double ester derivatives (3 and 5) demonstrated enhanced oral activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00305-3
• 作为产物：
  描述：

  氯甲基(4-硝基苯基)碳酸酯 在 sodium iodide 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 11.0h， 生成 (((4-nitrophenoxy)carbonyl)oxy)methyl isobutyrate
  参考文献：
  名称：

  THERAPEUTIC COMPOUNDS AND COMPOSITIONS

  摘要：

  本发明提供了抑制XIa因子或激肽酶的化合物和组合物，以及使用这些化合物和组合物的方法。

  公开号：

  US20150225389A1

文献信息

• DERIVATIVES OF RELEBACTAM AND USES THEREOF
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US20200102307A1

  公开（公告）日：2020-04-02

  Derivatives of relebactam, therapeutic methods of using the derivatives of relebactam, particularly in combination with β-lactam antibiotics and pharmaceutical compositions thereof are disclosed. The derivatives of relebactam are suitable for oral administration.

  Relebactam的衍生物、使用Relebactam的衍生物的治疗方法，特别是与β-内酰胺类抗生素结合使用以及其制药组合物已被披露。Relebactam的衍生物适合口服给药。
• [EN] PRODRUGS OF KALLIKREIN INHIBITORS<br/>[FR] PROMÉDICAMENTS D'INHIBITEURS DE LA KALLICRÉINE
  申请人：BIOCRYST PHARM INC

  公开号：WO2018081513A1

  公开（公告）日：2018-05-03

  Disclosed are compounds of formula I, II, and III, and pharmaceutically acceptable salts thereof, which are inhibitors of kallikrein. Also provided are pharmaceutical compositions comprising such a compound, and methods involving use of the compounds and compositions in the treatment and prevention of acquired or hereditary angioedema, or other diseases and conditions characterized by aberrant kallikrein activity. (I) (II) (III)

  公开了式I、II和III的化合物及其药学上可接受的盐，它们是激肽释放酶抑制剂。还提供了包含此类化合物的药物组合物，以及使用这些化合物和组合物治疗和预防获得性或遗传性血管性水肿或其他以异常激肽释放酶活性为特征的疾病和病症的方法。(I) (II) (III)
• Novel prodrugs of meropenem with two lipophilic promoieties: synthesis and pharmacokinetics
  作者：Shunkichi Tanaka、Hiroshi Matsui、Masayasu Kasai、Kazuyoshi Kunishiro、Nobuharu Kakeya、Hiroaki Shirahase

  DOI：10.1038/ja.2010.164

  日期：2011.3

  To improve the oral absorption of meropenem (MEPM), we synthesized and evaluated a series of its double-promoiety prodrugs, in which lipophilic promoieties were introduced into carboxyl and pyrrolidinyl groups. Among these prodrugs, pivaloyloxymethyl (1R,5S,6S)-2-[(3S,5S)-5-(N,N-dimethylcarbamoyl)-1-(isobutyryloxymethyloxycarbonyl)pyrrolidin-3-ylthio]-6-[(1R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate (4) and 1-ethylpropyloxycarbonyloxymethyl (1R,5S,6S)-2-[(3S,5S)-5-(N,N-dimethylcarbamoyl)-1-(isobutyryloxymethyloxycarbonyl)pyrrolidin-3-ylthio]-6-[(1R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate (8) were chosen for further evaluation. Compounds 4 and 8 were well absorbed after oral administration to rats and beagles (bioavailability 18.2–38.4%), and expected to show potent therapeutic efficacy in patients infected with various pathogens, such as penicillin-resistant S. pneumoniae and β-lactamase-negative ampicillin-resistant H. influenzae.

  为了改善美罗培南（MEPM）的口服吸收，我们合成并评估了一系列双促渗前药，在这些前药中，疏水性促渗基团被引入到羧基和吡咯烷基团中。在这些前药中，匹伐酸氧甲基（1R，5S，6S）-2-[(3S，5S)-5-(N，N-二甲基氨基甲酰基)-1-(异丁酰氧甲基氧羰基)吡咯烷-3-基硫]-6-[(1R)-1-羟基乙基]-1-甲基碳青霉烯-2-烯-3-羧酸酯（4）和1-乙基丙氧基羰氧甲基（1R，5S，6S）-2-[(3S，5S)-5-(N，N-二甲基氨基甲酰基)-1-(异丁酰氧甲基氧羰基)吡咯烷-3-基硫]-6-[(1R)-1-羟基乙基]-1-甲基碳青霉烯-2-烯-3-羧酸酯（8）被选为进一步评估的对象。化合物4和8在大鼠和比格犬中口服后被良好吸收（生物利用度为18.2-38.4%），并预期在感染各种病原体的患者中显示出强大的疗效，例如耐青霉素的肺炎链球菌和耐β内酰胺酶阴性的氨苄西林流感嗜血杆菌。
• [EN] COMPOUNDS HAVING CYCLIN-DEPENDENT KINASE(CDK)-INHIBITORY FUNCTION<br/>[FR] COMPOSÉS AYANT UNE FONCTION INHIBITRICE DE LA KINASE DÉPENDANTE DES CYCLINES (CDK)
  申请人：QURIENT CO LTD

  公开号：WO2022117504A1

  公开（公告）日：2022-06-09

  The present invention relates to compounds having cyclin-dependent kinase(CDK)- inhibitory functions and/or pharmaceutically acceptable salts thereof, the use of these compounds as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferative diseases, inflammatory diseases, immunological diseases, cardiovascular diseases and infectious diseases. Furthermore, the present invention is directed towards pharmaceutical compositions containing such compounds.

  本发明涉及具有细胞周期蛋白依赖性激酶（CDK）抑制功能和/或其药学上可接受的盐的化合物，以及这些化合物作为药学活性剂的用途，特别是用于预防和/或治疗细胞增殖性疾病、炎症性疾病、免疫性疾病、心血管疾病和传染病。此外，本发明还涉及包含这些化合物的药物组合物。
• TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME
  申请人：TERUMO KABUSHIKI KAISHA

  公开号：EP0790247A1

  公开（公告）日：1997-08-20

  The present invention relates to a tetrahydroisoquinoline derivative represented by the following formula 1 exhibiting an inhibitory action for agglutination caused by fibrinogen, which may be effectively used as an antithrombotic agent or a platelet agglutination-inhibiting agent. The present invention also relates to a medical preparation containing such compound. In formula 1, B and G are an alkylene optionally substituted with an alkyl or the like; D is H, an alkyl, or the like; E is 1,2,3,4-tetrahydroisoquinoline optionally substituted with R1 to R4 which binds to G at position 2; R1 to R4 are an alkyl or the like; L is hydroxy or the like; and A is a substituent represented by formula (2), and C is carbon. In formula 2, M and R5 to R8 are H, an alkyl or the like.

  本发明涉及一种由下式 1 表示的四氢异喹啉衍生物，该衍生物对纤维蛋白原引起的凝集具有抑制作用，可有效用作抗血栓剂或血小板凝集抑制剂。本发明还涉及一种含有此类化合物的医疗制剂。 在式 1 中，B 和 G 是任选被烷基或类似物取代的亚烷基；D 是 H、烷基或类似物；E 是任选被 R1 至 R4 取代的 1，2，3，4-四氢异喹啉，它在第 2 位与 G 结合；R1 至 R4 是烷基或类似物；L 是羟基或类似物；A 是式 (2) 所代表的取代基，C 是碳。 在式 2 中，M 和 R5 至 R8 是 H、烷基或类似物。