1-bromo-4-(7-bromoheptyloxy)benzene | 303974-85-8

• 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-4-(7-bromoheptyloxy)benzene
• 英文别名: 1-Bromo-4-[(7-bromoheptyl)oxy] benzene；1-bromo-4-(7-bromoheptoxy)benzene
• CAS: 303974-85-8
• 化学式: C₁₃H₁₈Br₂O
• 分子量: 350.093
• InChiKey: TVQLSDINKDVXBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  16
• 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-4-(7-bromoheptyloxy)benzene 在 水 、 potassium carbonate 、 sodium iodide 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 4-[7-(4-bromophenoxy)heptyloxy]benzoic acid
  参考文献：
  名称：

  Bent-core mesogens with an aromatic unit at the terminal position

  摘要：

  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。

  DOI：

  10.1039/c6nj03908a
• 作为产物：
  描述：

  1,7-二溴庚烷 、 4-bromophenoxymagnesium bromide 在 thienyllithium 作用下， 生成 1-bromo-4-(7-bromoheptyloxy)benzene
  参考文献：
  名称：

  Bent-core mesogens with an aromatic unit at the terminal position

  摘要：

  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。

  DOI：

  10.1039/c6nj03908a

文献信息

• Cyclic hexapeptides having antibiotic activity
  申请人：Tojo Takashi

  公开号：US06884868B1

  公开（公告）日：2005-04-26

  This invention relates to new polypeptide compound represented by general formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description or a salt thereof which has antimicrobial activities (especially, antifungal activities), inhibitory activity on β-1,3-glucan synthase, to process for preparation thereof, to a pharmaceutical composition comprising the same, and to a method for prophylactic and/or therapeutic treatment of infectious diseases including Pneumocystis carinii infection (e.g. Pneumocystis carinii pneumonia) in a human being or an animal.

  本发明涉及一种新的多肽化合物，其代表为通式（I），其中R1、R2、R3、R4、R5和R6如说明书中所定义，或其具有抗微生物活性（特别是抗真菌活性）的盐，对β-1,3-葡聚糖合成酶的抑制活性，以及其制备方法，包含该化合物的药物组合物，以及用于预防和/或治疗包括卡氏肺孢子虫感染（例如卡氏肺孢子虫肺炎）在内的传染性疾病的方法，适用于人类或动物。
• Twist-bend nematic liquid crystals based on thioether linkage
  作者：Yuki Arakawa、Kenta Komatsu、Hideto Tsuji

  DOI：10.1039/c8nj06456c

  日期：——

  linkage, containing odd carbon numbers n = 3, 5, 7, 9, and 11, and also synthesized even-n members n = 6 for each system. Both CBSnSCB with n = 3, 5 and 7 and CBSnOCB with n = 5 and 7 formed a broad range of twist-bend nematic (NTB) phases that were stable down to room temperature and showed remarkably enhanced glass-forming ability. In addition, CBS9OCB also formed NTB phase at a fast scan rate. DFT

  我们开发了基于具有硫醚或硫键的氰基联苯二聚体的弯曲弯曲线虫，与通常使用的亚甲基和醚键相反。基于硫醚C–C的键角小于亚甲基C–CH 2 – C和醚C– OC的键角，我们设计了两个二聚体同源系列，它们是更弯曲的，对称的CBS n SCB，具有两个硫醚键和非对称键具有硫醚和醚键的CBS n OCB，包含奇数碳原子数n = 3、5、7、9和11，并且每个系统还合成了偶数n个成员n = 6。既CBS Ñ SCB与Ñ = 3，5和7和CBS Ñ OCB与Ñ= 5和7形成了各种各样的扭曲弯曲向列相（N TB），这些相在室温下稳定，并显着增强了玻璃形成能力。此外，CBS9OCB还以快速扫描速率形成了N TB相。DFT计算显示，与常规的由杀线虫剂醚连接的CBO7OCB相比，扭曲弯曲的线虫产生剂CBS7SCB和CBS7OCB具有由两个氰基联苯部分的对位轴构成的较小的弯曲角和较大的偶极矩。
• Imidazolidinone compounds
  申请人：——

  公开号：US20030087936A1

  公开（公告）日：2003-05-08

  A compound having the formula: 1 in which R 1 , R 2 , R 3 , T, W, m, x, and y are defined as in the specification. Also disclosed is a method of treating enterovirus infection by using a compound described above.

  一个具有以下式子的化合物：1，其中R1、R2、R3、T、W、m、x和y的定义如规范中所述。还公开了一种利用上述化合物治疗肠道病毒感染的方法。
• Design, Synthesis, and Structure−Activity Relationship of Pyridyl Imidazolidinones:  A Novel Class of Potent and Selective Human Enterovirus 71 Inhibitors
  作者：Kak-Shan Shia、Wen-Tai Li、Chung-Ming Chang、Ming-Chu Hsu、Jyh-Haur Chern、Max K. Leong、Sung-Nien Tseng、Chung-Chi Lee、Yen-Chun Lee、Shu-Jen Chen、Kuan-Chang Peng、Huan-Yi Tseng、Yi-Ling Chang、Chia-Liang Tai、Shin-Ru Shih

  DOI：10.1021/jm010536a

  日期：2002.4.1

  When skeletons of Win compounds were used as templates, computer-assisted drug design led to the identification of a novel series of imidazolidinone derivatives with significant antiviral activity against enterovirus 71(EV 71), the infection of which had resulted in about 80 fatalities during the 1998 epidemic outbreak in Taiwan. In addition to inhibiting all the genotypes (A, B, and C) of EV 71 in the submicromolar to low micromolar range, compounds 1 and 8 were extensively evaluated against a variety of viruses, showing potent activity against coxsackievirus A9 (IC50 = 0.47-0.55 muM) and coxsackievirus A24 (IC50 = 0.47-0.55 muM) as well as moderate activity against enterovirus 68 (IC50 = 2.13 muM) and echovirus 9 (IC50 = 2.6 muM). Our SAR studies revealed that imidazolidinone analogues with an aryl substituent at the para position of the phenoxyl ring, such as compounds 20, 21, 27, 57, 58, and 61, in general exhibited the highest activity against EV 71. Among them, compound 20 and its corresponding hydrochloride salt 57, in terms of potency and selectivity index, appear to be the most promising candidates in this series for further development of anti-EV-71 agents. Preliminary results of the study on the mode of action by a time-course experiment suggest that test compounds 1 and 8 can effectively inhibit the virus replication at the early stages, referring to virus attachment or uncoating. This indicates that the surface protein may be the target for this type of compounds.
• CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1173472A1

  公开（公告）日：2002-01-23