benzyl 4-hydroxy-3-nitro-benzoate | 123015-44-1

• 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: benzyl 4-hydroxy-3-nitro-benzoate
• 英文别名: Benzyl 4-hydroxy-3-nitrobenzoate
• CAS: 123015-44-1
• 化学式: C₁₄H₁₁NO₅
• 分子量: 273.245
• InChiKey: NWTUOCOEMHESRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl 4-hydroxy-3-nitro-benzoate 在 哌啶 、 吡啶 、 盐酸 、 氯化亚砜 、 palladium 10% on activated carbon 、 水 、 氢气 、 氯甲酸乙酯 、 铁粉 、 potassium carbonate 、 三乙胺 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.67h， 生成 N-[(1S)-5-amino-1-cyanopentyl]-5-[[3-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-benzoxazole-2-carboxamide
  参考文献：
  名称：

  Novel type of plasmin inhibitors: Providing insight into P4 moiety and alternative scaffold to pyrrolopyrimidine

  摘要：

  Here we report a series of plasmin inhibitors which were originally derived from the parent structure of 1 and 2. Our efforts focused on the optimization of the P4 moiety of 2 and on the quest of alternative scaffold to pyrrolopyrimidine in the parent compounds. The results of the former gave us pivotal information on the further optimization of the P4 moiety in plasmin inhibitors and those of the latter revealed that appropriate moieties extending from the benzimidazole scaffold engaged with S4 pocket in the active site of plasmin. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.04.013
• 作为产物：
  描述：

  对羟基苯甲酸苄酯 在 硝酸 作用下， 生成 benzyl 4-hydroxy-3-nitro-benzoate
  参考文献：
  名称：

  Synthetische Studien über die Beziehung zwischen chemischer Konstitution und antimikrober Wirkung XII. 3-Nitro- und 3-Amino-4-oxy bzw. alkoxybenzoesäureester

  摘要：

  DOI：

  10.1002/ardp.19342721022

文献信息

• Heterocyclic amide compounds and medicinal uses thereof
  申请人：Yoshitomi Pharmaceuticals Industries, Ltd.

  公开号：US06080738A1

  公开（公告）日：2000-06-27

  A heterocyclic amide compound of the formula (I) ##STR1## wherein each symbol is as defined in the specification, a pharmacologically acceptable salt thereof, a pharmaceutical composition thereof and a pharmaceutical use thereof. The heterocyclic amide compound and a pharmacologically acceptable salt thereof of the present invention have superior inhibitory action on chymase group in mammals inclusive of human, and can be administered orally or parenterally. Therefore, they are useful as chymase inhibitors and can be used for the prophylaxis and treatment of various diseases caused by chymase, such as those caused by angiotensin II.

  化学式（I）的杂环酰胺化合物##STR1##及其药理学上可接受的盐，以及其药物组合物和药用途。本发明的杂环酰胺化合物及其药理学上可接受的盐在哺乳动物中包括人类的chymase群具有优越的抑制作用，并可经口或经肠外途径给药。因此，它们可用作chymase抑制剂，并可用于预防和治疗由chymase引起的各种疾病，如由II型血管紧张素引起的疾病。
• Catechol carboxylic acids
  申请人：Hoffmann-La Roche Inc.

  公开号：US05025036A1

  公开（公告）日：1991-06-18

  The invention relates to catechol carboxylic acid derivatives of the formula ##STR1## wherein, R.sub.1 is ##STR2## acetyl, hydrogen, hydroxy or alkanoyloxy, R.sub.2 is ##STR3## hydroxy, hydrogen or alkanoyloxy, wherein R is hydrogen, lower alkyl or --(CH.sub.2).sub.n --N--(lower alkyl).sub.2, R.sub.3 is hydrogen, lower alkyl or amino, R.sub.4 is hydrogen, lower alkyl, halogen or amino A is ##STR4## wherein, R.sub.5 is hydrogen or acyl, R.sub.6 is hydrogen, halogen, lower alkyl, aryl or cycloalkyl, and R.sub.7 and R.sub.8, independently, are hydrogen, lower alkyl or halogen, or A is ##STR5## wherein, R.sub.5 is hydrogen or acyl, R.sub.9 is hydrogen, lower alkyl, R.sub.10 is hydrogen, lower alkyl or halogen, R.sub.11 is hydrogen, lower alkyl, cycloalkyl or halogen, m is 0 or 1, n is an integer of 2-10, provided, that no more than one of R.sub.1 or R.sub.2 can be hydroxy, alkanoyloxy or ##STR6## and when R is hydrogen, salts thereof with pharmaceutically acceptable bases or when R is --(CH.sub.2).sub.n --N--(lower alkyl).sub.2, salts thereof with pharmaceutically acceptable acids. The compounds of formula I are useful as agents for the treatment of inflammatory diseases such as arthritis, inflammatory bowel disease such as colitis, cardiovascular diseases such as myocardial ischemia, skin diseases such as psoriasis by topical administration, and bronchopulmonary diseases such as asthma.

  这项发明涉及公式##STR1##的儿茶酚羧酸衍生物，其中，R.sub.1为##STR2##乙酰基，氢，羟基或烷酰氧基，R.sub.2为##STR3##羟基，氢或烷酰氧基，其中R为氢，低烷基或--(CH.sub.2).sub.n --N--(低烷基).sub.2，R.sub.3为氢，低烷基或氨基，R.sub.4为氢，低烷基，卤素或氨基，A为##STR4##其中，R.sub.5为氢或酰基，R.sub.6为氢，卤素，低烷基，芳基或环烷基，而R.sub.7和R.sub.8，独立地，为氢，低烷基或卤素，或A为##STR5##其中，R.sub.5为氢或酰基，R.sub.9为氢，低烷基，R.sub.10为氢，低烷基或卤素，R.sub.11为氢，低烷基，环烷基或卤素，m为0或1，n为2-10的整数，前提是R.sub.1或R.sub.2中不超过一个可以是羟基，烷酰氧基或##STR6##，当R为氢时，其与药学上可接受的碱盐，或当R为--(CH.sub.2).sub.n --N--(低烷基).sub.2时，其与药学上可接受的酸盐。公式I的化合物可用作治疗类风湿性关节炎、炎症性肠病如结肠炎、心血管疾病如心肌缺血、皮肤疾病如牛皮癣经局部给药治疗，以及支气管肺部疾病如哮喘的药物。
• NOVEL HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USES THEREOF
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0940400A1

  公开（公告）日：1999-09-08

  A heterocyclic amide compound of the formula (I) wherein each symbol is as delined in the specification, a pharmacologically acceptable salt thereof, a pharmaceutical composition thereof and a pharmaceutical use thereof. The heterocyclic amide compound and a pharmacologically acceptable salt thereof of the present invention have superior inhibitory action on chymase group in mammals inclusive of human, and can be administered orally or parenterally. Therefore, they are useful as chymase inhibitors and can be used for the prophylaxis and treatment of various diseases caused by chymase, such as those caused by angiotensin II.

  一种式 (I) 的杂环酰胺化合物 其中各符号如说明书中所述、其药理学上可接受的盐、其药物组合物和其药物用途。本发明的杂环酰胺化合物及其药理学上可接受的盐对哺乳动物（包括人类）的糜蛋白酶基团具有优异的抑制作用，可以口服或肠外给药。因此，它们可作为糜蛋白酶抑制剂，用于预防和治疗由糜蛋白酶引起的各种疾病，如血管紧张素 II 引起的疾病。
• New Star-shaped Mesogens with Three Different Arms on a 1,3,5-Benzene Core
  作者：Matthias Lehmann、Raluca Gearba、Dimitri Ivanov、M.H. J. Koch

  DOI：10.1080/15421400490435422

  日期：2004.1

  The convergent synthesis of new symmetrical and non-symmetrical star-shaped mesogens based on a phloroglucinol core is presented. Molecules with three different arms were derived. via esterification, of various 4-benzoyl-benzoic acid derivatives, substituted with polar groups and n alkoxy chains (n = 1-3), by using a combination of protecting group techniques and stoichiometric reactions. The thermotropic properties were investigated by differential scanning calorimetry, polarised optical microscopy and synchrotron X-ray diffraction. It is found that molecules with more than. seven lateral chains form mesophases. The presence of strong polar groups (-NO2) enlarges the temperature range of the liquid crystal phase. For all studied materials the diffractograms can. be indexed according to a two-dimensional hexagonal lattice. The lattice parameters indicate that the flexible chains are interdigitated.
• US5025036A
  申请人：——

  公开号：US5025036A

  公开（公告）日：1991-06-18