3-benzyloxy-4-fluorobenzyl alcohol | 959251-11-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-benzyloxy-4-fluorobenzyl alcohol
• 英文别名: 4-Fluoro-3-(phenylmethoxy)benzenemethanol；(4-fluoro-3-phenylmethoxyphenyl)methanol
• CAS: 959251-11-7
• 化学式: C₁₄H₁₃FO₂
• 分子量: 232.254
• InChiKey: ODJLDWHTUSENKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-benzyloxy-4-fluorobenzyl alcohol 在 manganese dioxide silica gel 、 正己烷 、 乙酸乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 以to give 3-(benzyloxy)-4-fluorobenzaldehyde (13 mg)的产率得到3-(苄氧基)-4-氟苯甲醛
  参考文献：
  名称：

  Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents

  摘要：

  本发明涉及一种新型化合物或其盐，其作为CRTH2拮抗剂具有用途，特别是作为参与嗜酸性粒细胞的疾病的药物，例如过敏性疾病，如哮喘，过敏性鼻炎，过敏性皮炎，结膜炎，荨麻疹，嗜酸性支气管炎，食物过敏，鼻窦炎炎症，多发性硬化症，血管炎或慢性阻塞性肺疾病（COPD）等。

  公开号：

  US08273745B2
• 作为产物：
  描述：

  3-(苄氧基)-4-氟苯甲醛 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以72%的产率得到3-benzyloxy-4-fluorobenzyl alcohol
  参考文献：
  名称：

  Synthesis and bioevaluation of [18F]4-fluoro-m-hydroxyphenethylguanidine ([18F]4F-MHPG): A novel radiotracer for quantitative PET studies of cardiac sympathetic innervation

  摘要：

  A new cardiac sympathetic nerve imaging agent, [F-18]4-fluoro-m-hydroxyphenethylguanidine ([F-18]4F-MHPG), was synthesized and evaluated. The radiosynthetic intermediate [F-18]4-fluoro-m-tyramine ([F-18]4F-MTA) was prepared and then sequentially reacted with cyanogen bromide and NH4Br/NH4OH to afford [F-18]4F-MHPG. Initial bioevaluations of [F-18]4F-MHPG (biodistribution studies in rats and kinetic studies in the isolated rat heart) were similar to results previously reported for the carbon-11 labeled analog [C-11]4F-MHPG. The neuronal uptake rate of [F-18]4F-MHPG into the isolated rat heart was 0.68 ml/min/g wet and its retention time in sympathetic neurons was very long (T-1/2 > 13 h). A PET imaging study in a nonhuman primate with [F-18]4F-MHPG provided high quality images of the heart, with heart-to-blood ratios at 80-90 min after injection of 5-to-1. These initial kinetic and imaging studies of [F-18]4F-MHPG suggest that this radiotracer may allow for more accurate quantification of regional cardiac sympathetic nerve density than is currently possible with existing neuronal imaging agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.106

文献信息

• [EN] N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE N-SUBSTITUÉS EN TANT QU'AGENTS SPÉCIFIQUES DES RÉCEPTEURS DE LA SÉROTONINE
  申请人：ACADIA PHARM INC

  公开号：WO2010111353A1

  公开（公告）日：2010-09-30

  Disclosed herein are substantially pure forms of the compounds of Formula (I), (II), (III), (IV) and (V), or a pharmaceutically acceptable salt, prodrug, hydrate, solvate, polymorph, stereoisomer or ester thereof. Also disclosed are methods of inhibiting an activity of a serotonin receptor, methods inhibiting an activation of a serotonin receptor, and methods of alleviating or treating various disease conditions and side effects.

  本发明公开了公式(I)、(II)、(III)、(IV)和(V)的化合物的几乎纯净形式，或其药物可接受的盐、前药、水合物、溶剂化物、多态、对映异构体或酯。还公开了抑制血清素受体活性的方法、抑制血清素受体激活的方法，以及缓解或治疗各种疾病状况和副作用的方法。
• POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS
  申请人：Terasaka Tadashi

  公开号：US20100009991A1

  公开（公告）日：2010-01-14

  The present invention relates to a novel compound or a salt thereof, which is useful as a CRTH2 antagonist, especially as a medicament for disorder that participates eosinophil, for example, allergic disorder such as asthma, allergic rhinitis, allergic dermatitis, conjunctival inflammation, hives, eosinophilic bronchitis, food allergy, inflammation of the nasal sinuses, multiple sclerosis, angiitis, or chronic obstructive pulmonary disease (COPD) and the like.

  本发明涉及一种新型化合物或其盐，该化合物可作为CRTH2拮抗剂使用，特别是作为治疗参与嗜酸性粒细胞的疾病的药物，例如哮喘、过敏性鼻炎、过敏性皮炎、结膜炎、荨麻疹、嗜酸性支气管炎、食物过敏、鼻窦炎炎症、多发性硬化症、血管炎或慢性阻塞性肺疾病（COPD）等疾病。
• Structure–anti-MRSA activity relationship of macrocyclic bis(bibenzyl) derivatives
  作者：Hiromi Sawada、Kenji Onoda、Daichi Morita、Erika Ishitsubo、Kenji Matsuno、Hiroaki Tokiwa、Teruo Kuroda、Hiroyuki Miyachi

  DOI：10.1016/j.bmcl.2013.10.069

  日期：2013.12

  We synthesized a series of macrocyclic bis(bibenzyl) derivatives, including riccardin-, isoplagiochin- and marchantin-class structures, and evaluated their antibacterial activity towards methicillin-resistant Staphylococcus aureus (anti-MRSA activity). The structure-activity relationships and the results of molecular dynamics simulations indicated that bis(bibenzyl)s with potent anti-MRSA activity commonly have a 4-hydroxyl group at the D-benzene ring and a 2-hydroxyl group at the C-benzene ring in the hydrophilic part of the molecule, and an unsubstituted phenoxyphenyl group in the hydrophobic part of the molecule containing the A-B-benzene rings. Pharmacological characterization of the bis(bibenzyl) derivatives and 2-phenoxyphenol fragment 25, previously proposed as the minimum structure of riccardin C 1 for anti-MRSA activity, indicated that they have different action mechanisms: the bis(bibenzyl) s are bactericidal, while 25 is bacteriostatic, showing only weak bactericidal activity. (C) 2013 Elsevier Ltd. All rights reserved.
• US8273745B2
  申请人：——

  公开号：US8273745B2

  公开（公告）日：2012-09-25
• [EN] POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS<br/>[FR] NOUVEAU COMPOSÉ D' OXYCARBONYLE
  申请人：ASTELLAS PHARMA INC

  公开号：WO2008072784A1

  公开（公告）日：2008-06-19

  [EN] The present invention relates to a novel compound or a salt thereof, which is useful as a CRTH2 antagonist, especially as a medicament for disorder that participates eosinophil, for example, allergic disorder such as asthma, allergic rhinitis, allergic dermatitis, conjunctival inflammation, hives, eosinophilic bronchitis, food allergy, inflammation of the nasal sinuses, multiple sclerosis, angiitis, or chronic obstructive pulmonary disease (COPD) and the like.
  [FR] La présente invention concerne un nouveau composé ou un de ses sels, qui est utile comme antagoniste du CRTH2, en particulier comme médicament destiné au traitement d'un trouble lié aux éosinophiles, tel qu'un trouble allergique comme l'asthme, la rhinite allergique, la dermatite allergique, la conjonctivite, l'urticaire, la bronchite à éosinophiles, l'allergie alimentaire, l'inflammation des sinus paranasaux, la sclérose en plaques, l'angéite ou la maladie pulmonaire obstructive chronique (MPOC) et analogue, par exemple.