4-(benzyloxy)-1-bromo-2-nitrobenzene | 4514-28-7

• 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-(benzyloxy)-1-bromo-2-nitrobenzene
• 英文别名: 2-Bromo-5-benzyloxy-nitrobenzene；1-bromo-2-nitro-4-phenylmethoxybenzene
• CAS: 4514-28-7
• 化学式: C₁₃H₁₀BrNO₃
• 分子量: 308.131
• InChiKey: BPSNHIPXNKPDPA-UHFFFAOYSA-N

物化性质

• 熔点：
  46-47 °C
• 沸点：
  397.7±27.0 °C(Predicted)
• 密度：
  1.524±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(benzyloxy)-1-bromo-2-nitrobenzene 在 铁粉 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 5-苄氧基-２-溴苯胺
  参考文献：
  名称：

  [EN] BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS
  [FR] DÉRIVÉS DE BENZOCYCLOBUTANE UTILES EN TANT QUE MODULATEURS DOUBLES DE SGLT1/SGLT2

  摘要：

  本发明涉及苯并环丁烷衍生物，含有它们的药物组合物以及它们在治疗由SGLT活性调节的疾病和症状中的应用，更具体地说是双重SGLT1/2活性。更具体地说，本发明的化合物在治疗例如II型糖尿病、X综合征以及与这些疾病相关的并发症和症状中是有用的。

  公开号：

  WO2018089449A1
• 作为产物：
  描述：

  4-溴-3-硝基苯甲醚 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 、 乙腈 为溶剂， 反应 17.0h， 生成 4-(benzyloxy)-1-bromo-2-nitrobenzene
  参考文献：
  名称：

  2,3-Dimethoxybenzo[i]phenanthridines: topoisomerase I-targeting anticancer agents

  摘要：

  Appropriately substituted benzo[i]phenanthridines structurally related to nitidine, a benzo[c]phenanthridine alkaloid with antitumor activity, are active as topoisomerase 1-targeting agents. Studies on benzo[i]phenanthridines have indicated analogues that possess a 2,3-methylenedioxy moiety and at least one and preferably two methoxyl groups at the 8- and 9-positions, such as 8,9-dimethoxy-2,3-methylenedioxybenzo[i]phenanthridine, 2, are active as topoisomerase 1-targeting agents. Tetramethoxylated benzo[i]phenanthridines, wherein the 2,3-methylenedioxy moiety is replaced with methoxyl groups at the 2- and 3-position, are inactive as a topoisomerase 1-targeting agent. These results initially suggested that the 2,3-methylenedioxy moiety was critical to the retention of potent activity. Further studies revealed that 2,3-dimethoxy-8,9-methylenedioxybenzo[i]phenanthridine, 7a, is more potent than 2 as a topoisomerase 1-targeting agent. The observation that 2,3-dimethoxylated benzo[i]phenanthridines can actually exhibit enhanced activity prompted the present study in which several 8-substituted 2,3-dimethoxybenzo[i]phenanthridines were prepared and their pharmacological activities evaluated. The influence of NH2, CN, CH2OH, OBn, OCH3, OH, and NHCOCH3 substituents at the 8-position on the relative activity of these 2,3 -dimethoxybenzo[i]phenanthridines was examined. Relative to these derivatives, 7a was the most potent topoisomerase I-targeting agent, possessing similar cytotoxicity to that of nitidine in the human lymphoblast tumor cell line, RPMI8402. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00530-8

文献信息

• [EN] COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GALENEA CORP

  公开号：WO2011019738A1

  公开（公告）日：2011-02-17

  Indole compounds are disclosed. Also disclosed are methods for using the compounds to treat human and animal disease, pharmaceutical compositions of the compounds, and kits including the compounds.

  吲哚化合物已被披露。还披露了使用这些化合物治疗人类和动物疾病的方法，这些化合物的药物组合物，以及包含这些化合物的试剂盒。
• [EN] 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD)<br/>[FR] DÉRIVÉS DE 7-OU 8-HYDROXY-ISOQUINOLÉINE ET DE 7-OU 8-HYDROXY-QUINOLÉINE EN TANT QUE MODULATEURS D'ALPHA-1-ANTITRYPSINE POUR TRAITER UNE DÉFICIENCE EN ALPHA-1-ANTITRYPSINE (AATD)
  申请人：VERTEX PHARMA

  公开号：WO2021203028A1

  公开（公告）日：2021-10-07

  7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-l-antitrypsin modulators for treating alpha-l-antitrypsin deficiency (AATD).

  7-或8-羟基异喹啉和7-或8-羟基喹啉衍生物作为治疗α-1-抗胰蛋白酶缺乏症（AATD）的α-1-抗胰蛋白酶调节剂。
• Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof
  申请人：Schumacher Richard

  公开号：US20070078147A1

  公开（公告）日：2007-04-05

  The present invention relates generally to the field of ligands for nicotinic acetylcholine receptors (nACh receptors), activation of nACh receptors, and the treatment of disease conditions associated with defective or malfunctioning nicotinic acetylcholine receptors, especially of the brain. Further, this invention relates to novel compounds (e.g., indazoles and benzothiazoles), which act as ligands for the α7 nACh receptor subtype, methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本发明一般涉及烟碱乙酰胆碱受体（nACh受体）的配体、nACh受体的激活，以及与缺陷或功能失调的烟碱乙酰胆碱受体相关的疾病状况的治疗，特别是大脑的疾病状况。此外，本发明涉及作为α7 nACh受体亚型的配体的新化合物（例如，吲唑和苯并噻唑），制备这种化合物的方法，含有这种化合物的组合物，以及这些化合物的使用方法。
• Dibenzodiazepine endothelin antagonists
  申请人：Bristol-Myers Squibb Company

  公开号：US05420123A1

  公开（公告）日：1995-05-30

  Endothelin-inhibiting compounds of the formula ##STR1## wherein: one of R.sup.1 and R.sup.2 is Y.sup.2 -CO.sub.2 H and the other is R; R is (a) hydrogen, (b) alkyl, (c) alkenyl, (d) alkynyl, (e) cycloalkyl, (f) cycloalkenyl, (g) aryl, (h) cycloalkylalkyl, (i) cycloalkenylalkyl, or (j) aralkyl; R.sup.3 is aryl or heteroaryl; X.sup.1 and X.sup.2 are each independently (a) hydrogen, (b) halo or haloalkyl, (c) hydroxy, (d) alkoxy (e) cyano, (f) nitro, or (g) amino, alkylamino, or dialkylamino; and the remaining symbols are as defined in the specification.

  公式为##STR1##的内皮素抑制化合物，其中：R.sup.1和R.sup.2中的一个是Y.sup.2 -CO.sub.2 H，另一个是R；R是(a) 氢，(b) 烷基，(c) 烯基，(d) 炔基，(e) 环烷基，(f) 环烯烷基，(g) 芳基，(h) 环烷基烷基，(i) 环烯烷基烷基，或(j) 芳基烷基；R.sup.3是芳基或杂芳基；X.sup.1和X.sup.2各自独立地是(a) 氢，(b) 卤素或卤代烷基，(c) 羟基，(d) 烷氧基，(e) 氰基，(f) 亚硝基，或(g) 氨基，烷基氨基，或二烷基氨基；其余符号如规范中定义。
• Exploring the Ring-Closing Metathesis for the Construction of the Solomonamide Macrocyclic Core: Identification of Bioactive Precursors
  作者：Iván Cheng-Sánchez、Paloma Carrillo、Antonio Sánchez-Ruiz、Beatriz Martínez-Poveda、Ana R. Quesada、Miguel A. Medina、Juan M. López-Romero、Francisco Sarabia

  DOI：10.1021/acs.joc.7b02988

  日期：2018.5.18

  New synthetic strategies directed toward the novel cyclopeptides solomonamides have been explored utilizing an olefin metathesis as the key reaction. In the various strategies investigated, we worked on minimally oxidized systems, and the olefin metathesis reaction demonstrated efficiency and validity for the construction of the macrocyclic core. The described synthetic strategies toward the solomonamides

  利用烯烃复分解作为关键反应，已经探索了针对新型环肽solomonamides的新合成策略。在研究的各种策略中，我们研究了最低限度氧化的系统，并且烯烃复分解反应证明了构建大环核的有效性和有效性。所描述的针对单氨酰胺的合成策略非常适合于随后的天然产物的获得，并且代表了灵活且面向多样性的途径，其允许通过氧化转化产生多种类似物。另外，对所产生的单氨酰胺前体的初步生物学评估显示了其对各种肿瘤细胞系的抗肿瘤活性。