2-tert-butyl-4-(4'-bromophenyl)phenol | 862650-74-6

• 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: 2-tert-butyl-4-(4'-bromophenyl)phenol
• 英文别名: 2-tert-butyl-4-(4’-bromophenyl)phenol；4'-bromo-3-tert-butyl-biphenyl-4-ol；4-(4-bromophenyl)-2-tert-butylphenol
• CAS: 862650-74-6
• 化学式: C₁₆H₁₇BrO
• 分子量: 305.214
• InChiKey: ZDGYKTLWVQSGOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4-(4'-bromophenyl)phenol 在 lithium hydroxide monohydrate 、 palladium diacetate 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 生成 E-3-(3’-tert-butyl-4’-hydroxybiphenyl-4-yl)acrylic acid
  参考文献：
  名称：

  [EN] PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE
  [FR] DÉRIVÉS DE PHÉNOL DESTINÉS À ÊTRE UTILISÉS COMME ANTIMICROBIENS, ANTIBACTÉRIENS, ET BACTÉRICIDES

  摘要：

  通式（I）和（II）的酚衍生物，其中取代基的含义在描述中指明，它们的药用盐，以及它们的制备方法，它们作为抗微生物、抗菌、杀菌剂的用途以及相应的药物组成物被披露。

  公开号：

  WO2020178053A1
• 作为产物：
  描述：

  4-羟基-4'-溴联苯 以 Acetic acid sulfuric acid 、 Toluene heptane 为溶剂， 生成 2-tert-butyl-4-(4'-bromophenyl)phenol
  参考文献：
  名称：

  HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES

  摘要：

  本发明涉及公式I的化合物，其中R5，R6和R7中至少有一个是SR12，S（O）R12或S（O）2R12基团，其中R12是C1-6卤代烷基基团，可作为化学解偶联剂。本发明的化合物在治疗，包括预防肥胖症，糖尿病以及与之相关的许多疾病或病况方面非常有用。

  公开号：

  US20100041657A1

文献信息

• [EN] PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE<br/>[FR] DÉRIVÉS DE PHÉNOL DESTINÉS À ÊTRE UTILISÉS COMME ANTIMICROBIENS, ANTIBACTÉRIENS, ET BACTÉRICIDES
  申请人：SPECIAL PRODUCTS LINE S P A

  公开号：WO2020178053A1

  公开（公告）日：2020-09-10

  Phenol derivatives of general formula (I) and (II), wherein meanings of the substituents are indicated in the description, their pharmaceutically acceptable salts, together with the processes for their preparation, their use as antimicrobial, antibacterial, bactericide agents and the corresponding pharmaceutical compositions are disclosed.

  通式（I）和（II）的酚衍生物，其中取代基的含义在描述中指明，它们的药用盐，以及它们的制备方法，它们作为抗微生物、抗菌、杀菌剂的用途以及相应的药物组成物被披露。
• NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES
  申请人：NOVO NORDISK A/S

  公开号：EP1881961A1

  公开（公告）日：2008-01-30
• [EN] NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES<br/>[FR] NOUVEAUX COMPOSES D'HALOALKYLSULFONE SUBSTITUES UTILES DANS LE TRAITEMENT DE L'OBESITE ET DE DIABETES
  申请人：NOVO NORDISK AS

  公开号：WO2006120178A1

  公开（公告）日：2006-11-16

  [EN] The present invention relates to compounds of formula I, in which at least one of R5, R6 and R7 is SR12, S(O)R12 or S(O)2R12 group where R12 is a C1-6haloalkyl group, that act, as chemical uncouplers. Compounds of the invention are useful in the treatment, including prevention, of obesity, diabetes and a number of diseases or conditions associated therewith.
  [FR] L'invention concerne des composés de formule (I) dans laquelle R5, R6 ou R7 représentent le groupe SR12, S(O)R12 ou S(O)2R12 et où R12 représente un groupe C1-6haloalkyle, lesdits composés agissant en tant que découpleurs chimiques. Les composés selon l'invention sont utiles dans le traitement, y compris dans la prévention de l'obésité, de diabètes et d un nombre de maladies ou d'états associés.
• Synthesis and Structure−Activity Relationships of a New Series of Retinoid-Related Biphenyl-4-ylacrylic Acids Endowed with Antiproliferative and Proapoptotic Activity
  作者：Raffaella Cincinelli、Sabrina Dallavalle、Raffaella Nannei、Serena Carella、Daniele De Zani、Lucio Merlini、Sergio Penco、Enrico Garattini、Giuseppe Giannini、Claudio Pisano、Loredana Vesci、Paolo Carminati、Valentina Zuco、Chiara Zanchi、Franco Zunino

  DOI：10.1021/jm049440h

  日期：2005.7.1

  Atypical retinoids (AR) represent a class of proapoptotic agents with promising potential in the treatment of neoplastic diseases. In the present work 4'-hydroxybiphenyl-4-ylacrylic acids were studied as a novel series of AR. The synthesized compounds were evaluated for their antiproliferative activity in a human promyelocytic leukemia cell line (NB4) and in an ovarian carcinoma cell system including IGROV-1, carrying a functional wild-type p53, and a cisplatin-resistant subline, IGROV-1/Pt-1. The presence of a bulky lipophilic group at position 3' (adamantan-1-yl being the best) and the E configuration of the acrylic moiety appear essential for activity below 1 mu M. No substitution on the rings or on the double bond improved the activity. A qualitative correlation between the log P and molecular volume of the 3'-substituent and the antiproliferative activity was found. From the study of a few selected compounds, it appears that the presence of the carboxylic group is an essential requirement for apoptogenic properties but not for antiproliferative activity, this being maintained in amide derivatives. On the other hand, compounds able to induce apoptosis produced a detectable level of genotoxic damage. This observation supports the hypothesis that the genotoxic stress is a critical event mediating apoptosis induction by compounds of this class. Among the compounds investigated, E-3-(3'-adamantan-1-yl-4'-hydroxybiphenyl-4-yl)acrylic acid (2) was chosen for further investigation.
• HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES
  申请人：Olesen Preben Houlberg

  公开号：US20100041657A1

  公开（公告）日：2010-02-18

  The present invention relates to compounds of formula I, in which at least one of R5, R6 and R7 is SR12, S(O)R12 or S(O)2R12 group where R12 is a C1-6haloalkyl group, that act, as chemical uncouplers. Compounds of the invention are useful in the treatment, including prevention, of obesity, diabetes and a number of diseases or conditions associated therewith.

  本发明涉及公式I的化合物，其中R5，R6和R7中至少有一个是SR12，S（O）R12或S（O）2R12基团，其中R12是C1-6卤代烷基基团，可作为化学解偶联剂。本发明的化合物在治疗，包括预防肥胖症，糖尿病以及与之相关的许多疾病或病况方面非常有用。