1-bromo-7-phenoxyheptane | 51795-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-bromo-7-phenoxyheptane
• 英文别名: (7-bromo-heptyloxy)-benzene；7-phenoxyheptylbromide；7-phenoxyheptyl bromide；(7-bromo-heptyl)-phenyl ether；(7-Brom-heptyl)-phenyl-aether；7-Brom-1-phenoxy-heptan；7-bromoheptoxybenzene
• CAS: 51795-98-3
• 化学式: C₁₃H₁₉BrO
• 分子量: 271.197
• InChiKey: OJCPJTXRPNMPIT-UHFFFAOYSA-N

物化性质

• 沸点：
  335.7±25.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  1-bromo-7-phenoxyheptane 在 盐酸 、 正丁基锂 、 三氟乙酸酐 作用下， 以 乙醇 为溶剂， 反应 34.67h， 生成 (E)-1-{4-[(7-bromoheptyl)oxy]phenyl}-1-(4-iodophenyl)-2-phenyl-1-butene
  参考文献：
  名称：

  Homologs of Idoxifene:  Variation of Estrogen Receptor Binding and Calmodulin Antagonism with Chain Length

  摘要：

  A series of homologs of idoxifene [1a, (E)-1-[4-(N-pyrrolidinoethoxy)phenyl]-1-(4-iodophenyl)-2-phenyl-1-butene] and selected homologs of 4-iodotamoxifen [2a, (E)-1-[4-[N-dimethylamino)-ethoxy]phenyl]-1-(4-iodophenyl)-2-phenyl-1-butene] with the side chain (CH2)(n) varying in length from n = 3 (1b, 2b) to n = 10 (1i, 2i) have been synthesized and tested for antagonism of the calmodulin-dependent activity of cAMP phosphodiesterase and for binding affinity to rat uterine estrogen receptor. Compared with 1a (IC50 = 1.5 mu M), the homologs showed a progressive increase in calmodulin antagonism with a maximum inhibition at n = 7-9 (1f-h) (IC50 = 0.2 mu M), declining at n = 10 (1i) to IC50 = 1.6 mu M. In the pyrrolidino series, estrogen receptor binding affinity peaked at n = 3 (1b, RBA = 23; estradiol = 100), declining by n = 10 (1i) to RBA = 0.4, but the homolog n = 8 (1g, RBA = 3.5) was still comparable to tamoxifen (RBA = 3.9). A similar pattern of activity was seen for the dimethylamino counterparts. These compounds represent a new class of antiestrogens with potent calmodulin antagonism.

  DOI：

  10.1021/jm9505472
• 作为产物：
  描述：

  ethyl 7-(phenoxy)heptanoate 在 乙醇 、 sodium 、 三溴化磷 作用下， 生成 1-bromo-7-phenoxyheptane
  参考文献：
  名称：

  CYCLIC QUATERNARY AMMONIUM SALTS FROM HALOGENATED ALIPHATIC TERTIARY AMINES

  摘要：

  DOI：

  10.1021/ja01364a041

文献信息

• Bent-core mesogens with an aromatic unit at the terminal position
  作者：Kvetoslava Bajzíková、Jiří Svoboda、Vladimíra Novotná、Damian Pociecha、Ewa Gorecka

  DOI：10.1039/c6nj03908a

  日期：——

  Bent-core liquid crystals with a naphthalene central unit and an aromatic ring at the terminal position of molecular chains were synthesised with the aim of enhancing nanosegregation.

  具有萘中心单元和分子链末端位置芳香环的弯曲核液晶被合成，旨在增强纳米分离。
• [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE
  申请人：F2G LTD

  公开号：WO2017009651A1

  公开（公告）日：2017-01-19

  The invention provides a compound which is a diazine of formula (I) or a tautomer thereof, or a pharmaceutically acceptable salt thereof, for use as an antifungal agent: (I) wherein X, N', C', A and E are as defined herein. The invention also provides a compound of Formula (I) as defined herein.

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。
• Method of inhibiting parasitic activity
  申请人：Washington University

  公开号：US05747537A1

  公开（公告）日：1998-05-05

  A method of inhibiting parasitic activity is disclosed in which the biosynthesis, structure and/or function of the glycosyl phosphatidylinositol (GPI) anchor of said parasite may be affected by incorporating into said GPI anchor selected analogs of myristic acid containing various heteroatoms, substituents and unsaturated bonds, including ester-containing analogs, ketocarbonyl-containing analogs, sulfur-containing analogs, double bond- and triple bond-containing analogs, aromatic moiety-containing analogs, nitrated analogs and halogenated analogs.

  公开了一种抑制寄生活动的方法，其中可以通过将含有各种杂原子、取代基和不饱和键的肉豆蔻酸选择性类似物纳入所述寄生物的磷脂酰肌醇糖基磷脂酰肌醇（GPI）锚中来影响所述寄生物的生物合成、结构和/或功能，其中包括酯含类似物、酮羰基含类似物、硫含类似物、双键和三键含类似物、芳香基含类似物、硝基类似物和卤代类似物。
• Antagonists of slow reacting substance of anaphylaxis. Synthesis of a series of chromone-2-carboxylic acids
  作者：R. A. Appleton、J. R. Bantick、T. R. Chamberlain、D. N. Hardern、T. B. Lee、A. D. Pratt

  DOI：10.1021/jm00213a012

  日期：1977.3

  A series of substituted chromone-2-carboxylic acids was synthesized and tested as antagonists of SRS-A induced contractions of isolated guinea pig ileum. This work led to the discovery of sodium 7-[3-(4-acetyl-3hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylate (FPL 55712) which is the first reported specific antagonist of SRS-A. Some structural requirements for

  合成了一系列取代的色酮-2-羧酸，并作为SRS-A诱导的豚鼠回肠收缩收缩的拮抗剂进行了测试。这项工作导致发现7- [3-（4-乙酰基-3-羟基-2-丙基苯氧基）-2-羟基丙氧基] -4-氧代-8-丙基-4H-1-苯并吡喃-2-羧酸钠（FPL 55712 ），这是第一个报道的SRS-A特异性拮抗剂。讨论了该系列生物活性的一些结构要求。
• Design, synthesis, and<i>in vitro</i>and<i>in vivo</i>characterization of 1-{4-[4-(substituted)piperazin-1-yl]butyl}guanidines and their piperidine analogues as histamine H₃receptor antagonists
  作者：Marek Staszewski、Anna Stasiak、Tadeusz Karcz、Daniel McNaught Flores、Wiesława Agnieszka Fogel、Katarzyna Kieć-Kononowicz、Rob Leurs、Krzysztof Walczyński

  DOI：10.1039/c8md00527c

  日期：——

  antagonistic activity against the histamine H3 receptor. Additionally, the most active compounds 1a, 1c, and 1d were evaluated for their affinity to the rat histamine H3 receptor and the human histamine H3 and H4 receptors. It was also shown that compounds 1a, 1c and 1d, given parenterally for five days, reduced the food intake of rats and did not influence the brain histamine or noradrenaline concentrations;

  以前，我们已经证明 1-取代的-[4-(7-苯氧基庚基哌嗪-1-基)丁基]胍在苄基部分的第 4 位具有吸电子取代基，对豚鼠空肠组胺 H3 受体具有很高的体外亲和力。 pA 2 范围为 8.49 至 8.43。在这里，我们提供了哌啶环（化合物 2a 和 2b）取代哌嗪支架的影响的数据，将苄基和 4-三氟甲基苄基取代基从胍部分的位置 1 移动到 3（化合物 2c 和 2d），其中降低胍碱度（化合物 2e），以及存在于先导化合物 1b 和 1c 中的单个合成子（化合物 2f-h）对组胺 H3 受体拮抗活性的影响。此外，最活跃的化合物 1a、1c、评估了 1d 和 1d 对大鼠组胺 H3 受体和人组胺 H3 和 H4 受体的亲和力。还表明，化合物 1a、1c 和 1d，肠胃外给药 5 天，减少了大鼠的食物摄入，并且不影响脑组胺或去甲肾上腺素浓度；然而，分别在给予化合物 1a 和 1c 的大鼠中发现血清素和多巴胺浓度显着降低。