3-氨基-5-硝基苯甲醇 | 90390-46-8

• 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: 3-氨基-5-硝基苯甲醇
• 中文别名: (3-氨基-5-硝基苯基)甲醇
• 英文名称: 3-amino-5-nitrobenzyl alcohol
• 英文别名: (3-amino-5-nitrophenyl)methanol
• CAS: 90390-46-8
• 化学式: C₇H₈N₂O₃
• mdl: MFCD08236778
• 分子量: 168.152
• InChiKey: QOQKOVFSUNXURX-UHFFFAOYSA-N

物化性质

• 沸点：
  425.9±30.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  92.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922199090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  3-氨基-5-硝基苯甲醇 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 3-chloro-5-nitromandelic acid
  参考文献：
  名称：

  Enzymatic resolution of substituted mandelic acids

  摘要：

  A series of substituted mandelic acids were prepared and subjected to enzymatic resolution utilizing Lipase PS 'Amano'. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01270-x
• 作为产物：
  描述：

  3,5-二硝基苯甲酸 在 ammonium sulfide 、 硼烷四氢呋喃络合物 作用下， 生成 3-氨基-5-硝基苯甲醇
  参考文献：
  名称：

  带有叠氮和末端炔基侧基的聚降冰片烯的合成

  摘要：

  摘要：开发了一种强大的方法来合成前所未有的聚降冰片烯，其带有带有叠氮化物和末端炔基的侧基。两个关键中间体，即3-叠氮基-5-（2-（三甲基甲硅烷基）乙炔基）苄醇和4-（4-氮杂-三环[5.2.1.0 2.6] dec-8-en-4-基）苯甲酸，最佳合成了相应单体的聚合合成。

  DOI：

  10.1016/j.cclet.2010.12.020

文献信息

• Pyrazole compounds
  申请人：——

  公开号：US20030060453A1

  公开（公告）日：2003-03-27

  Pharmaceutical compositions and compounds are provided. The compounds of the invention demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death. In one embodiment of the invention, pharmaceutical compositions of the compounds in combination with a physiologically acceptable carrier are provided. The pharmaceutical compositions are useful in the treatment of hyperproliferative disorders, which disorders include tumor growth, lymphoproliferative diseases, angiogenesis. The compounds of the invention are substituted pyrazoles and pyrazolines.

  提供药物组合物和化合物。发明的化合物显示出抗增殖活性，并且可能促进缺乏正常细胞周期和死亡调控的细胞的凋亡。发明的一个实施例提供了化合物与生理可接受载体组合的药物组合物。该药物组合物可用于治疗过度增殖障碍，包括肿瘤生长、淋巴增殖性疾病、血管生成。发明的化合物是取代吡唑和吡唑啉。
• Radiolabeled farnesyl-protein transferase inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06060038A1

  公开（公告）日：2000-05-09

  The present invention is directed toward radiolabeled farnesyl-protein transferase inhibitor compounds which are useful to label FPTase in assays, whether cell-based, tissue-based or in whole animal. The tracers can also be used in competitive binding assays to obtain information on the interaction of unlabeled FTIs with FPTase.

  本发明涉及用于标记FPTase的放射性标记的法尼基蛋白转移酶抑制剂化合物，这些化合物在细胞、组织或整体动物中的检测中非常有用。这些示踪剂还可以用于竞争结合实验，以获取有关未标记FTIs与FPTase相互作用的信息。
• [EN] NOVEL MODIFIED MACROCYCLIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS MACROCYCLIQUES MODIFIÉS
  申请人：BAYER PHARMA AG

  公开号：WO2017060167A1

  公开（公告）日：2017-04-13

  The present invention relates to novel modified macrocyclic compounds of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of disorders, in particular of hyper-proliferative disorders and/or virally induced infectious diseases and/or of cardiovascular diseases. The invention further relates to intermediate compounds useful in the preparation of said compounds of general formula (I).

  本发明涉及一种新型的改性大环化合物，其一般式为（I），如所述并定义，以及其制备方法，用于治疗和/或预防疾病，特别是高增殖性疾病和/或病毒引起的传染病和/或心血管疾病。该发明还涉及在制备所述一般式（I）化合物过程中有用的中间化合物。
• Photoconjugation of 3-azido-5-nitrobenzyl-[18F]fluoride to an oligonucleotide aptamer
  作者：Christopher W. Lange、Henry F. VanBrocklin、Scott E. Taylor

  DOI：10.1002/jlcr.565

  日期：2002.3.15

  Photoconjugation techniques are well established in biochemistry and molecular biology applications. We report here the first application of photoconjugation to label an oligonucleotide with positron emitting fluorine-18. ANBF, 3-azido-5-nitrobenzyl fluoride, was tagged with fluorine-18 in 30–50% yield from the corresponding tosylate. The HPLC purified [18F]ANBF was photochemically conjugated to a hexylamine modified 15-base, single stranded, DNA aptamer with up to 20% radiolabeling efficiency, based on starting [18F]ANBF. Separation by gel exclusion chromatography and HPLC analysis of the DNA fractions indicated that the benzyl fluoride was covalently bound to the aptamer. The total reaction time from the start of radiosynthesis was 135 min. Based on these results, the feasibility to photolabel oligonucleotide molecules with fluorine-18 labeled arylazides for PET applications has been established. Copyright © 2002 John Wiley & Sons, Ltd.

  光共轭技术在生物化学和分子生物学领域的应用已经非常成熟。我们在此报告首次应用光共轭技术用正电子发射的氟-18 标记寡核苷酸。用氟-18 标记 3-叠氮-5-硝基苄基氟化物（ANBF）时，相应的对甲苯磺酸盐的收率为 30-50%。HPLC 纯化的[18F]ANBF 通过光化学方法与六胺修饰的 15 个碱基、单链 DNA 类似物连接，辐射标记效率高达 20%（基于起始[18F]ANBF）。通过凝胶排阻色谱法分离和高效液相色谱法分析 DNA 产物表明，苄基氟化物与适配体发生了共价结合。从放射性合成开始，反应总时间为 135 分钟。基于这些结果，用氟-18 标记的芳基氮化物对寡核苷酸分子进行光标记以用于 PET 的可行性已经得到证实。Copyright © 2002 John Wiley & Sons, Ltd. All Rights Reserved.
• New amidino derivatives and their use as thormbin inhibitors
  申请人：——

  公开号：US20020068730A1

  公开（公告）日：2002-06-06

  There is provided compounds of formula I, 1 wherein Y and R 1 have meanings given in the description, and pharmaceutically acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants.

  提供了化合物I，其中Y和R1的含义如描述中所述，并且其药学上可接受的衍生物（包括前药），这些化合物和衍生物在竞争性蛋白酶酶类（如凝血酶）的抑制剂方面具有用处，因此特别适用于治疗需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。