3-bromo-4-iso-butoxybenzaldehyde | 946743-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-bromo-4-iso-butoxybenzaldehyde
• 英文别名: 3-Bromo-4-isobutoxybenzaldehyde；3-bromo-4-(2-methylpropoxy)benzaldehyde
• CAS: 946743-11-9
• 化学式: C₁₁H₁₃BrO₂
• mdl: MFCD13874036
• 分子量: 257.127
• InChiKey: ZFYHTNZFODJWQP-UHFFFAOYSA-N

物化性质

• 沸点：
  325.4±22.0 °C(Predicted)
• 密度：
  1.344±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-4-iso-butoxybenzaldehyde 生成
  参考文献：
  名称：

  一种2-(3-氰基-4-(2-甲基丙氧基)苯基)-4-甲基-5-噻唑甲酸的合成方法

  摘要：

  本发明公开了一种2-(3-氰基-4-(2-甲基丙氧基)苯基)-4-甲基-5-噻唑甲酸的合成方法，以价廉易得的对羟基苯甲醛为起始物料，经醚化、卤代、成肟、脱水、硫代酰胺化、环合、氰化、水解制得。该方法各步反应条件温和，不使用昂贵的试剂，无催化氢化等危险操作，各步收率高，无副反应发生及副产物产生，重复性好，且该方法前4步反应的各个中间体，无须分离纯化，操作简单，成本低廉，适于工业化大生产。

  公开号：

  CN102079731A
• 作为产物：
  描述：

  4-异丁氧基苯甲醛 生成 3-bromo-4-iso-butoxybenzaldehyde
  参考文献：
  名称：

  一种2-(3-氰基-4-(2-甲基丙氧基)苯基)-4-甲基-5-噻唑甲酸的合成方法

  摘要：

  本发明公开了一种2-(3-氰基-4-(2-甲基丙氧基)苯基)-4-甲基-5-噻唑甲酸的合成方法，以价廉易得的对羟基苯甲醛为起始物料，经醚化、卤代、成肟、脱水、硫代酰胺化、环合、氰化、水解制得。该方法各步反应条件温和，不使用昂贵的试剂，无催化氢化等危险操作，各步收率高，无副反应发生及副产物产生，重复性好，且该方法前4步反应的各个中间体，无须分离纯化，操作简单，成本低廉，适于工业化大生产。

  公开号：

  CN102079731A

文献信息

• [EN] INHIBITORS OF ACETYL-COA CARBOXYLASE<br/>[FR] INHIBITEURS DE L'ACÉTYL-COA CARBOXYLASE
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2010127212A1

  公开（公告）日：2010-11-04

  The present invention relates to compounds that act as acetyl-CoA carboxylase (ACC) inhibitors. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为乙酰辅酶A羧化酶（ACC）抑制剂的化合物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• PLATELET AGGREGATION INHIBITOR, PREPARATION AND USES THEREOF
  申请人：Shenyang Hinewy Pharmaceutical Technology Co., Ltd.

  公开号：EP3960734A1

  公开（公告）日：2022-03-02

  This disclosure relates to medicines, and more particularly to a platelet aggregation inhibitor, a pharmaceutical composition containing the same and a preparation and application thereof. The platelet aggregation inhibitor provided herein is a compound of formula (I), or a pharmaceutically-acceptable salt, a tautomer or a pharmaceutically-acceptable solvate thereof. This application also provides an application of the compound of formula (I), or a pharmaceutically-acceptable salt, a tautomer, a pharmaceutically-acceptable solvate or a pharmaceutical composition thereof in the treatment of thrombus.

  本公开涉及药物，更具体地涉及血小板聚集抑制剂、含有该抑制剂的药物组合物以及其制备和应用。这里提供的血小板聚集抑制剂是式（I）的化合物，或其药学上可接受的盐、互变异构体或药学上可接受的溶剂化合物。本申请还提供了式（I）的化合物、药学上可接受的盐、互变异构体、药学上可接受的溶剂化合物或药物组合物在治疗血栓方面的应用。
• INHIBITORS OF ACETYL-COA CARBOXYLASE
  申请人：SARMA Pakala Kumara Savithru

  公开号：US20100280067A1

  公开（公告）日：2010-11-04

  The present invention relates to compounds that act as acetyl-CoA carboxylase (ACC) inhibitors. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为乙酰辅酶A羧化酶（ACC）抑制剂的化合物。本发明还涉及制备这些化合物的方法，含有这些化合物的组合物，以及使用这些化合物的治疗方法。
• Synthesis and evaluation of 1-hydroxy/methoxy-4-methyl-2-phenyl-1H-imidazole-5-carboxylic acid derivatives as non-purine xanthine oxidase inhibitors
  作者：Shaolei Chen、Tingjian Zhang、Jian Wang、Fangyang Wang、Handong Niu、Chunfu Wu、Shaojie Wang

  DOI：10.1016/j.ejmech.2015.08.056

  日期：2015.10

  Xanthine oxidase is a key enzyme that catalyses hypoxanthine and xanthine to uric acid, whose overproduction leads to the gout-causing hyperuricemia. In this study, a series of 1-hydroxy/methoxy-4-methy1-2-phenyl-1H-imidazole-5-carboxylic acid derivatives (4a-4k and 6a-6k) was synthesized and evaluated for their inhibitory potency against xanthine oxidase. The 1-hydroxyl substituted derivatives 4a-4k showed excellent inhibitory potency with IC50 values ranging from 0.003 mu M to 1.2 mu M, with compounds 4d (IC50 = 0.003 mu M), 4e (IC50 = 0.003 FM), and 4f (IC50 = 0.006 mu M) manifesting the most potent xanthine oxidase inhibitory potency that were comparable with that of Febuxostat (IC50 = 0.01 410). Lineweaver-Burk plot analysis revealed that representative compound 4f acted as a mixed-type inhibitor for xanthine oxidase. The basis of significant inhibition of xanthine oxidase by 4f was rationalized by its molecular docking into the active site of xanthine dehydrogenase. (C) 2015 Elsevier Masson SAS. All rights reserved.
• Chalcone derivatives as xanthine oxidase inhibitors: synthesis, binding mode investigation, biological evaluation, and ADMET prediction
  作者：Can Yang、Yi Liu、Yanbei Tu、Lizi Li、Jiana Du、Dehong Yu、Pei He、Tao Wang、Yan Liu、Hao Chen、Yanfang Li

  DOI：10.1016/j.bioorg.2022.106320

  日期：2023.2