4-bromo-2-propyl-anisole | 178363-65-0

• 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-bromo-2-propyl-anisole
• 英文别名: Methyl-(4-brom-2-propyl-phenyl)-aether；5-Brom-2-methoxy-1-propyl-benzol；4-Brom-2-propyl-anisol；4-Bromo-1-methoxy-2-propylbenzene
• CAS: 178363-65-0
• 化学式: C₁₀H₁₃BrO
• 分子量: 229.117
• InChiKey: VQEOZCVMHAEKAK-UHFFFAOYSA-N

物化性质

• 沸点：
  134 °C(Press: 15 Torr)
• 密度：
  1.314 g/cm3(Temp: 18 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-2-propyl-anisole 、 6-甲氧基苯并噻吩-2-硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 生成 6-Methoxy-2-(4-methoxy-3-propylphenyl)-1-benzothiophene
  参考文献：
  名称：

  Toward Selective ERβ Agonists for Central Nervous System Disorders:  Synthesis and Characterization of Aryl Benzthiophenes

  摘要：

  In an effort to identify selective ligands for the estrogen receptor subtype ERbeta, a series of aryl benzthiophenes was synthesized. In a radioligand binding assay and reporter gene assays in HeLa and SH-SY5Y cells, compounds were characterized as ERbeta-selective agonists. By targeting ER in the brain, these compounds could lead to drugs able to separate the beneficial effects of estrogens on mood, learning, and memory from side effects such as the stimulation of endometrial and breast cancer.

  DOI：

  10.1021/jm015577l
• 作为产物：
  描述：

  4-溴苯甲醚 在 水 、 zinc(II) chloride 作用下， 生成 4-bromo-2-propyl-anisole
  参考文献：
  名称：

  Quelet, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1934, vol. 198, p. 2107

  摘要：

  DOI：

文献信息

• US7271270B2
  申请人：——

  公开号：US7271270B2

  公开（公告）日：2007-09-18
• US7449447B2
  申请人：——

  公开号：US7449447B2

  公开（公告）日：2008-11-11
• [EN] KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE
  申请人：DEVGEN NV

  公开号：WO2008049919A2

  公开（公告）日：2008-05-02

  [EN] The present invention relates to new AGC kinase inhibitors, in particular to compounds of Formula (I) or (II) or a stereoisomer, tautomer, racemic, metabolite, pro- or predrug, salt, hydrate, or solvate thereof, wherein R¹, R², R⁴, R⁵, R⁷, R⁸, q s, L, and Y have the meaning defined in the claims. In particular, the present invention relates to ROCK inhibitors, compositions, in particular pharmaceuticals, comprising such inhibitors, and to uses of such inhibitors in the treatment and prophylaxis of disease.
  [FR] La présente invention concerne de nouveaux inhibiteurs des kinases de la famille AGC, en particulier des composés de formule (I) ou (II), ou un stéréoisomère, un tautomère, un racémique, un métabolite, un pro ou pré-médicament, un sel, un hydrate ou un solvate de ceux-ci, dans lesquelles R¹, R², R⁴, R⁵, R⁷, R⁸, q s, L et Y ont le sens défini dans les revendications. La présente invention concerne en particulier des inhibiteurs de la ROCK, des compositions, en particulier des produits pharmaceutiques, comprenant de tels inhibiteurs et des utilisations de tels inhibiteurs pour le traitement et la prophylaxie de maladies.
• [EN] COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DU CANCER ET DE MALADIES INFLAMMATOIRES
  申请人：SHY THERAPEUTICS LLC

  公开号：WO2017112777A1

  公开（公告）日：2017-06-29

  Provided herein are compounds that inhibit the phosphorylation of MAPK and thus are compositions and methods for treating cancer and inflammatory disease.
• Toward Selective ERβ Agonists for Central Nervous System Disorders:  Synthesis and Characterization of Aryl Benzthiophenes
  作者：Ulrich Schopfer、Philippe Schoeffter、Serge F. Bischoff、Joachim Nozulak、Dominik Feuerbach、Philipp Floersheim

  DOI：10.1021/jm015577l

  日期：2002.3.1

  In an effort to identify selective ligands for the estrogen receptor subtype ERbeta, a series of aryl benzthiophenes was synthesized. In a radioligand binding assay and reporter gene assays in HeLa and SH-SY5Y cells, compounds were characterized as ERbeta-selective agonists. By targeting ER in the brain, these compounds could lead to drugs able to separate the beneficial effects of estrogens on mood, learning, and memory from side effects such as the stimulation of endometrial and breast cancer.