2-sec-butyl-4-bromophenol | 741698-79-3

• 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-sec-butyl-4-bromophenol
• 英文别名: 2-sec-butyI-4-bromophenol；4-Bromo-2-sec-butylphenol；4-Bromo-2-(1-methylpropyl)phenol；4-bromo-2-butan-2-ylphenol
• CAS: 741698-79-3
• 化学式: C₁₀H₁₃BrO
• 分子量: 229.117
• InChiKey: XSERSFGASLGUTK-UHFFFAOYSA-N

物化性质

• 沸点：
  277.1±20.0 °C(Predicted)
• 密度：
  1.342±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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-sec-butyl-4-bromophenol 在 bis-triphenylphosphine-palladium(II) chloride 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 生成 ethyl 2-(1,1'-biphenyl-3,3'-disec-butyl-4'-ol-4-oxy)acetate
  参考文献：
  名称：

  3,3′-Disubstituted bipolar biphenyls as inhibitors of nuclear receptor coactivator binding

  摘要：

  A series of bipolar biphenyl compounds was synthesized as proteomimetic analogs of the LXXLL pentapeptide motif responsible for the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were subjected to multiple in vitro assays to evaluate their effectiveness as competitive binding inhibitors. The results from this initial study indicate that these proteomimetics possess the ability to inhibit this protein-protein interaction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.007
• 作为产物：
  描述：

  2-仲丁基苯酚 在 tetra-N-butylammonium tribromide 作用下， 以 氯仿 为溶剂， 生成 2-sec-butyl-4-bromophenol
  参考文献：
  名称：

  3,3′-Disubstituted bipolar biphenyls as inhibitors of nuclear receptor coactivator binding

  摘要：

  A series of bipolar biphenyl compounds was synthesized as proteomimetic analogs of the LXXLL pentapeptide motif responsible for the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were subjected to multiple in vitro assays to evaluate their effectiveness as competitive binding inhibitors. The results from this initial study indicate that these proteomimetics possess the ability to inhibit this protein-protein interaction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.007

文献信息

• AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1679304A1

  公开（公告）日：2006-07-12

  The present invention provides compounds represented by general formula (I): a prodrug thereof, or pharmaceutical acceptable salts thereof, wherein R1 is hydrogen or lower alkyl; each of R2 and R3 is independently hydrogen or lower alkyl; each of R4, R5 and R6 is independently hydrogen, halogen, lower alkyl or lower alkoxy; R7 is hydrogen or lower alkyl; R8 is hydrogen, halogen, lower alkyl, lower alkoxy, etc; R9 is -COR10, -A1-COR10, -O-A2-COR10, etc; Ar is optionally substituted phenyl or heteroaryl; and A is a bond, -OCH2-, etc, which exhibit potent and selective β3-adrenoceptor stimulating activities. The present invention also provides pharmaceutical compositions containing said compound, and uses thereof.

  本发明提供了由通式（I）表示的化合物： 其前药，或其药用可接受的盐，其中R1是氢或较低的烷基；R2和R3中的每一个独立地是氢或较低的烷基；R4、R5和R6中的每一个独立地是氢、卤素、较低的烷基或较低的烷氧基；R7是氢或较低的烷基；R8是氢、卤素、较低的烷基、较低的烷氧基等；R9是-COR10、-A1-COR10、-O-A2-COR10等；Ar是可选择地取代的苯基或杂环芳基；A是键，-OCH2-等，具有强效和选择性的β3-肾上腺素受体刺激活性。本发明还提供了含有所述化合物的药物组合物，以及其用途。
• [EN] MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING<br/>[FR] MODULATEURS DE LIAISON PROTÉINIQUE DE CORÉGULATION DE RÉCEPTEUR NUCLÉAIRE
  申请人：UNIV NORTHEASTERN

  公开号：WO2009117739A1

  公开（公告）日：2009-09-24

  Disclosed are novel compounds and compositions for inhibition of androgen and estrogen receptor signaling, methods for inhibiting androgen signaling, methods for inhibiting estrogen signaling, methods for inhibiting the interaction between a co-regulatory protein and an androgen or estrogen receptor, and methods for treating cancer.

  揭示了用于抑制雄激素和雌激素受体信号传导的新化合物和组合物，用于抑制雄激素信号传导的方法，用于抑制雌激素信号传导的方法，用于抑制共调节蛋白与雄激素或雌激素受体相互作用的方法，以及用于治疗癌症的方法。
• Fluorine-substituted alkyl phenol compounds and their uses
  申请人：——

  公开号：US20030176513A1

  公开（公告）日：2003-09-18

  The present invention relates to the synthesis of fluorinated forms of alkyl phenol compounds and their subsequent use as pharmaceutical agents. More specifically, alkyl phenol compounds are fluorinated to increase compound volatility such that the compound may be administered to a mammal, such as a human being, by inhalation. The invention also provides an inhaler (or vaporizer), that can be used for administration of the volatile derivatives of fluorine-substituted alkyl phenol compound. Further, different derivatives of fluorine-substituted alkyl phenol compound can be also administered by other routes as described in this document.

  本发明涉及合成氟代烷基苯酚化合物的方法，以及它们作为药物的后续应用。更具体地说，氟代烷基苯酚化合物被氟化，以增加化合物的挥发性，从而可以通过吸入的方式给哺乳动物，如人类进行治疗。本发明还提供了一种吸入器（或雾化器），可用于给氟代烷基苯酚化合物的挥发衍生物进行治疗。此外，本文所述的不同氟代烷基苯酚化合物的衍生物也可以通过其他途径进行治疗。
• Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof
  申请人：Kobayashi Junichi

  公开号：US20060128807A1

  公开（公告）日：2006-06-15

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 and R 2 are each hydrogen or lower alkyl; R 3 , R 4 , R 5 and R 6 are each hydrogen, halogen, lower alkyl or lower alkoxy; R 7 and R 8 are each hydrogen, halogen, lower alkyl, halo-lower alkyl, lower alkoxy, cycloalkyl, aryl, heteroaryl, cyano, a hydroxyl group, lower acyl, carboxy or the like; R 9 is —C(O)—R 10 , -A 1 -C(O)—R 10 , —O-A 2 -C(O)—R 10 or a tetrazol-5-yl group, which exhibit potent and selective β3-adrenoceptor stimulating activities. The present invention also provides pharmaceutical compositions containing said compound, and uses thereof.

  本发明提供一般式（I）所表示的化合物或其药学上可接受的盐，其中R1和R2均为氢或较低的烷基；R3、R4、R5和R6均为氢、卤素、较低的烷基或较低的烷氧基；R7和R8均为氢、卤素、较低的烷基、卤代较低的烷基、较低的烷氧基、环烷基、芳基、杂芳基、氰基、羟基、较低的酰基、羧基或类似物；R9为—C（O）—R10、-A1-C（O）—R10、—O-A2-C（O）—R10或四唑-5-基团，其表现出强效和选择性的β3肾上腺素能受体刺激活性。本发明还提供含有该化合物的药物组合物及其用途。
• Kinase inhibitors as therapeutic agents
  申请人：Cusack Kevin

  公开号：US20060074102A1

  公开（公告）日：2006-04-06

  A compound or pharmaceutically acceptable salts thereof of Formula (I) wherein the substituents are as defined herein, which are useful as kinase inhibitors.

  式(I)化合物或其药学上可接受的盐，其中取代基如本文所定义，可用作激酶抑制剂。