1-chloro-4-(4-fluorophenyl)-2-butanol | 939825-24-8

• 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: 1-chloro-4-(4-fluorophenyl)-2-butanol
• 英文别名: 1-chloro-4-p-fluorophenyl-2-butanol；(+/-)-1-chloro-4-(4-fluorophenyl)-2-butanol；1-Chloro-4-(4-fluorophenyl)butan-2-ol
• CAS: 939825-24-8
• 化学式: C₁₀H₁₂ClFO
• 分子量: 202.656
• InChiKey: WRADWASFTOPSSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  4
• 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：
  2

反应信息

• 作为反应物：
  描述：

  咪唑 、 1-chloro-4-(4-fluorophenyl)-2-butanol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 4-(4-fluorophenyl)-1-(1H-imidazol-1-yl)-2-butanol
  参考文献：
  名称：

  WO2008/151437

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氟氯苄 、 环氧氯丙烷 在 碘 、 magnesium 作用下， 以 乙醚 为溶剂， 反应 2.25h， 以69%的产率得到1-chloro-4-(4-fluorophenyl)-2-butanol
  参考文献：
  名称：

  Heme oxygenase inhibition by 2-oxy-substituted 1-(1H-imidazol-1-yl)-4-phenylbutanes: Effect of halogen substitution in the phenyl ring

  摘要：

  A series of 2-oxy-substituted 1-(1H-imidazol-1-yl)-4-phenylbutanes comprising imidazole-ketones, imidazole-dioxolanes, and imidazole-alcohols substituted with halogens in the phenyl ring were synthesized and evaluated as novel inhibitors of heme oxygenase which are structurally distinct from metalloporphyrins. The entire library of compounds was found to be highly active, with the bromine- and iodine-substituted derivatives being the most potent. The imidazole dioxolanes were all selective for the HO-1 isozyme (inducible) and exhibited substantially lower activity toward the HO-2 isozyme (constitutive). The corresponding imidazole-ketones and imidazole-alcohols showed selectivity toward HO-1 to a lesser degree than the similarly substituted imidazole-dioxotanes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.02.034

文献信息

• Novel Imaging Agents for Fibrosis
  申请人：Tolleshaug Helge

  公开号：US20080292547A1

  公开（公告）日：2008-11-27

  The present invention provides a novel imaging agent suitable for the non-invasive visualization of fibrosis. A method for the preparation of the imaging agent is also provided by the invention, as well as a precursor for use in said method. Also provided is a pharmaceutical composition comprising the imaging agent and a kit for the preparation of the pharmaceutical. In a further aspect, use of the imaging agent for in vivo imaging and in the preparation of a medicament for the diagnosis of a condition in which LOX is upregulated is provided.

  本发明提供了一种新型成像剂，适用于无创可视化纤维化。该发明还提供了一种制备成像剂的方法，以及用于该方法的前体。还提供了一种包括成像剂的药物组合物和用于制备药物的工具包。在进一步方面，提供了使用成像剂进行体内成像和制备用于诊断LOX上调病症的药物的方法。
• Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System
  申请人：Gupta Ajay

  公开号：US20110319459A1

  公开（公告）日：2011-12-29

  Disclosed are compounds of the general formula (I): TC n D  (I), compositions comprising an effective amount of said compounds either alone or in combination with other chemotherapeutic agents, and methods useful for treating or preventing cancer and for inhibiting tumour tissue growth. These compounds attenuate the oxidative damage associated with increased heme-oxygenase activity and can reduce cell proliferation in transformed cells. In addition, the described compounds and compositions are useful as neuroprotectants and for treating or preventing neurodegenerative disorders and other diseases of the central nervous system.

  本发明涉及一般式（I）的化合物：TCnD（I），包括单独使用或与其他化疗药物联合使用的有效量的该化合物的组合物，以及用于治疗或预防癌症和抑制肿瘤组织生长的有用方法。这些化合物减弱了与增加血红素氧合酶活性相关的氧化损伤，并可以减少转化细胞中的细胞增殖。此外，所述化合物和组合物可用作神经保护剂，并用于治疗或预防中枢神经系统的神经退行性疾病和其他疾病。
• Derivatives of substituted N-alkyl imidazoles, their preparation and these compounds for pharmaceutical use
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0005980A2

  公开（公告）日：1979-12-12

  Derivatives of substituted N-alkyl imidazoles of the formula wherein R' is phenethyl and R2 is phenyl, each of said phenethyl or phenyl independently being unsubstituted or substituted in the phenyl ring by from 1 to 3 substituents selected from the group consisting of halo, lower alkyl or lower alkoxy with the proviso that at least one of R' and R2 be substituted by lower alkoxy; X is oxygen or sulfur; and the antimicrobial acid addition salts thereof are useful as antifungal, antibacterial and antiprotozoal agents. They can be prepared by etherification or thioetherification of the corresponding compounds having -OH in place of -XR2; or by reaction of R1CH(Y)CH2SR2 and:or R1CH(SR2)CH2Y with imidazole, wherein Y is a leaving group.

  式中取代的 N-烷基咪唑的衍生物 其中 R'为苯乙基，R2 为苯基，每个所述苯乙基或苯基独立地未被取代或在苯基环上被 1 至 3 个取代基取代，这些取代基可从卤代、低级烷基或低级烷氧基组成的组中选出，但条件是 R' 和 R2 中至少有一个被低级烷氧基取代；X 为氧或硫；其抗菌酸加成盐可用作抗真菌剂、抗菌剂和抗原虫剂。它们可以通过相应化合物的醚化或硫醚化来制备，其中-OH 取代-XR2；或通过 R1CH(Y)CH2SR2 和:或 R1CH(SR2)CH2Y 与咪唑反应来制备，其中 Y 是离去基团。
• Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Hit-to-lead optimization
  作者：Katalin Nógrádi、Gábor Wágner、György Domány、Amrita Bobok、Ildikó Magdó、Béla Kiss、Sándor Kolok、Katalin Fónagy、István Gyertyán、Viktor Háda、János Kóti、Krisztina Gál、Sándor Farkas、György M. Keserű、István Greiner、Zsolt Szombathelyi

  DOI：10.1016/j.bmcl.2014.06.057

  日期：2014.8

  An HTS campaign of our corporate compound library resulted in thieno[2,3-b]pyridines derivative hits with mGluR5 negative allosteric modulator effects. During the hit-to-lead development our objective was to improve affinity, and to keep the ligand efficiency values at an acceptable level. After different modifications of the linker resulted in a 2-sulfonyl-thieno[2,3-b]pyridines derivative, which fulfilled the lead criteria.
• HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM
  申请人：Osta Biotechnologies

  公开号：EP2173740A1

  公开（公告）日：2010-04-14