3-溴-2-羟基-5-甲氧基苯甲酸甲酯 | 153355-46-5

• 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-溴-2-羟基-5-甲氧基苯甲酸甲酯
• 英文名称: methyl 3-bromo-2-hydroxy-5-methoxybenzoate
• 英文别名: 3-bromo-2-hydroxy-5-methoxy-benzoic acid methyl ester；Benzoic acid, 3-bromo-2-hydroxy-5-methoxy-, methyl ester
• CAS: 153355-46-5
• 化学式: C₉H₉BrO₄
• 分子量: 261.072
• InChiKey: YZAZPGYTPQKRNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-溴-2-羟基-5-甲氧基苯甲酸甲酯 在 吡啶盐酸盐 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-Bromo-3,7,9-trihydroxy-5,11-dioxa-benzo[b]fluoren-10-one
  参考文献：
  名称：

  Constrained phytoestrogens and analogues as ERβ selective ligands

  摘要：

  A new series of ERbeta (ERbeta) selective ligands has been prepared. One of the compounds 6, structurally related to the phytoestrogen apigenin 4, displays a binding preference for ERbeta over ERalpha of over 40-fold. In addition to its binding selectivity, 6 was able to potently induce metallothionein (an ERbeta specific response in human SAOS-2 cells) while demonstrating low potency in an ERalpha dependant ERE-tk luciferase assay in MCF-7 cells. Such receptor and cell selectivity could make 6 a useful molecular probe for better understanding the role of ERbeta in mammalian physiology. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00394-9
• 作为产物：
  描述：

  5-甲氧基水杨酸甲酯 在 溴 作用下， 以 氯仿 为溶剂， 生成 3-溴-2-羟基-5-甲氧基苯甲酸甲酯
  参考文献：
  名称：

  [EN] PENICILLIN-BINDING PROTEIN INHIBITORS
  [FR] INHIBITEURS DE PROTÉINES DE LIAISON À LA PÉNICILLINE

  摘要：

  本文描述了某些含硼化合物、组合物、制剂及它们作为细菌青霉素结合蛋白的跨肽酶功能调节剂和抗菌剂的用途。在某些实施例中，本文描述的化合物抑制青霉素结合蛋白。在某些实施例中，本文描述的化合物在治疗细菌感染方面是有用的。

  公开号：

  WO2018218190A1

文献信息

• Tetracyclic compounds as estrogen ligands
  申请人：Miller P. Christopher

  公开号：US20060004087A1

  公开（公告）日：2006-01-05

  This invention provides estrogen receptor modulators having the structure: wherein R 1 , R 2 , R 3 , R 4 , Q, n, R 8 , R 9 , R 10 , and R 11 have been defined in the specification; or a pharmaceutically acceptable salt thereof. The invention further provides methods for the preparation and use of the compounds.

  这项发明提供了具有以下结构的雌激素受体调节剂：其中R1、R2、R3、R4、Q、n、R8、R9、R10和R11已在规范中定义；或其药用盐。该发明还提供了该化合物的制备和使用方法。
• Process for the manufacture of brofaromine and analogs thereof
  申请人：Ciba-Geigy Corporation

  公开号：US05290939A1

  公开（公告）日：1994-03-01

  A process for the manufacture of brofaromine and analogues thereof by reaction of a trisubstitued phosphonium methyl dihydroquinone compound with a 1-(substituted carbonyl)-4-(substituted carbonyl)-piperidine with subsequent cyclization and hydrolysis of the remaining carbonyl substituent. The resulting prmary compound can be further interconverted between free and salt forms or between different salt forms as desired.

  一种制备布罗法明及其类似物的方法，通过将三取代膦甲基二氢喹啉化合物与1-(取代羰基)-4-(取代羰基)-哌啶反应，随后环化并水解剩余的羰基取代基。所得的原始化合物可以根据需要进一步在自由和盐形式之间或不同盐形式之间相互转化。
• Substituted hydroquinone derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US05693807A1

  公开（公告）日：1997-12-02

  The invention relates to substituted hydroquinone derivatives of the general formula I ##STR1## wherein R.sub.4 is lower alkyl and either R.sub.1 is hydroxy, halogen, a group of the formula --P(=O)(R.sub.5)R.sub.6 (Ia), a group of the formula --P.sup.+ (R.sub.7)(R.sub.8)R.sub.9 X.sup.- (Ib) or a group of the formula --Si(R.sub.7)(R.sub.8)R.sub.9 (Ic), M is methylene, R.sub.2 is hydrogen or a group of the formula ##STR2## and R.sub.3 is hydrogen or halogen, or .sub.1 is hydroxy or lower alkoxy, M is carbonyl, R.sub.2 is hydrogen and R.sub.3 is halogen, each of R.sub.5 and R.sub.6, independently of the other, is lower alkyl, lower alkoxy Or N,N-di-lower alkylamino, or is benzyl, benzyloxy, phenyl or phenoxy, each of which is unsubstituted or mono- or di-substituted at the phenyl ring, to a process for the preparation of those compounds and to the use of those compounds, and to a process in which those compounds are used.

  本发明涉及一般式I的取代羟基苯醌衍生物，其中R.sub.4是低碳基，且R.sub.1是羟基、卤素、式--P（=O）（R.sub.5）R.sub.6（Ia）、式--P.sup.+（R.sub.7）（R.sub.8）R.sub.9 X.sup.-（Ib）或式--Si（R.sub.7）（R.sub.8）R.sub.9（Ic）的基团之一，M为亚甲基，R.sub.2为氢或式##STR2##，R.sub.3为氢或卤素，或.sub.1为羟基或低碳基氧基，M为羰基，R.sub.2为氢，R.sub.3为卤素，R.sub.5和R.sub.6分别独立地是低碳基、低碳基氧基或N，N-二低碳基氨基，或是苄基、苄氧基、苯基或苯氧基，其中每个在苯环上未取代或单取代或二取代的。本发明还涉及制备这些化合物的过程以及使用这些化合物的用途和使用这些化合物的过程。
• Benzo-fused heterocyclic derivatives useful as agonists of GPR120
  申请人：Janssen Pharmaceutica NV

  公开号：US10155737B2

  公开（公告）日：2018-12-18

  The present invention is directed to benzo-fused heterocyclic derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by GPR120. More particularly, the compounds of the present invention are agonists of GPR120, useful in the treatment of, such as for example, Type II diabetes mellitus.

  本发明涉及苯并融合杂环衍生物、含有它们的药物组合物以及它们在治疗受 GPR120 调节的疾病和病症中的用途。更具体地说，本发明的化合物是 GPR120 的激动剂，可用于治疗例如 II 型糖尿病。
• US2014/275172
  申请人：——

  公开号：——

  公开（公告）日：——