1-(2-溴乙基)哌啶 | 56477-57-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(2-溴乙基)哌啶
• 英文名称: 1-(2-bromo-ethyl)-piperidine
• 英文别名: 1-(2-Bromoethyl)piperidine
• CAS: 56477-57-7
• 化学式: C₇H₁₄BrN
• 分子量: 192.099
• InChiKey: OMLPYEWVUSQNGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙基)哌啶 在 palladium on activated charcoal 氢气 、 sodium hydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 3.55h， 生成 3-Chloro-11-(2-piperidin-1-yl-ethyl)-11H-indolo[3,2-c]quinoline 5-oxide
  参考文献：
  名称：

  Structure-activity relationships of antimalarial indolo[3,2-c]quinolines [1, 2]

  摘要：

  Structure-activity relationships have been ascertained and chemical methodology developed for a series of antimalarial 3-chloroindolo[3,2-c]quinoline-5-oxides. The basic side chain as well as the ring N-oxide are critical for antimalarial activity as is a bromine or chlorine in position 3. Substitution at positions 7, 8, 9, 10 is not essential, although the most potent analog in our studies was the 8-nitro compound 4vv.

  DOI：

  10.1016/0223-5234(93)90036-e
• 作为产物：
  描述：

  1-(2-phenoxyethyl)piperidine 生成 1-(2-溴乙基)哌啶
  参考文献：
  名称：

  IBUKI, TADAYUKI;SUGIHARA, TAISUKE;KAWAKUBO, HIROMU;SONE, TAKANORI

  摘要：

  DOI：

文献信息

• Structure–Activity Relationship Studies Reveal New Astemizole Analogues Active against <i>Plasmodium falciparum</i> In Vitro
  作者：Dickson Mambwe、Malkeet Kumar、Richard Ferger、Dale Taylor、Mathew Njoroge、Dina Coertzen、Janette Reader、Mariëtte van der Watt、Lyn-Marie Birkholtz、Kelly Chibale

  DOI：10.1021/acsmedchemlett.1c00328

  日期：2021.8.12

  In the context of drug repositioning and expanding the existing structure–activity relationship around astemizole (AST), a new series of analogues were designed, synthesized, and evaluated for their antiplasmodium activity. Among 46 analogues tested, compounds 21, 30, and 33 displayed high activities against asexual blood stage parasites (PfNF54 IC50 = 0.025–0.043 μM), whereas amide compound 46 additionally

  在药物重新定位和扩大阿司咪唑 (AST) 周围现有构效关系的背景下，设计、合成了一系列新的类似物，并评估了它们的抗疟原虫活性。在测试的46 种类似物中，化合物 21、30 和 33显示出对无性血液期寄生虫的高活性（Pf NF54 IC 50 = 0.025–0.043 μM），而酰胺化合物46还显示出对晚期配子体（IV/V 期；Pf LG IC 50 = 0.6 ± 0.1 μM）和比 hERG 高 860 倍的选择性（46, SI = 43) 与 AST 相比。在中国仓鼠卵巢 (SI > 148) 细胞系中显示出高溶解度 (Sol > 100 μM) 和低细胞毒性的几种类似物也已被鉴定。
• [EN] PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV<br/>[FR] COMPOSÉS PYRROLOPYRIDINONES ET MÉTHODES DE TRAITEMENT DU VIH
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2013043553A1

  公开（公告）日：2013-03-28

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV).

  提供了这些化合物及其药用盐，它们的药物组合物，它们的制备方法，以及它们用于治疗由逆转录病毒家族成员介导的病毒感染，如人类免疫缺陷病毒（HIV）的用途。
• HCV NS3 protease inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US09328138B2

  公开（公告）日：2016-05-03

  The present invention relates to macrocyclic compounds of formula (I) that are useful as inhibitors of the hepatitis C virus (HCV) NS3 protease, their synthesis, and their use for treating or preventing HCV infections.

  本发明涉及式(I)的大环化合物，该化合物用作丙型肝炎病毒(HCV) NS3蛋白酶的抑制剂，它们的合成以及它们用于治疗或预防HCV感染的应用。
• Azulene derivatives
  申请人：Boehringer Mannheim GmbH

  公开号：US06121322A1

  公开（公告）日：2000-09-19

  The invention provides novel azulene derivatives of general formula I ##STR1## wherein R.sub.1 to R.sub.6 have the significance given in the description, as well as their tautomers, enantiomers, diastereomers, racemates and physiologically compatible salts or esters and substances which are hydrolyzed or metabolized in vivo to compounds of formula I. The invention is also concerned with a process and intermediates for the manufacture of the above compounds, pharmaceutical compositions which contain such compounds as well as the use of these compounds in the treatment of inflammatory conditions.

  该发明提供了一种通式I的新型蓝紫烯衍生物##STR1##其中R.sub.1至R.sub.6在描述中给出的含义，以及它们的互变异构体、对映异构体、非对映异构体、消旋体和生理兼容性盐或酯，以及在体内水解或代谢为通式I化合物的物质。该发明还涉及制备上述化合物的过程和中间体，含有这些化合物的药物组合物，以及在治疗炎症性疾病中使用这些化合物。
• Pyridazino[3,4,5-<i>de</i>]phthalazines. II. Synthesis of nitrogen-substituted derivatives
  作者：John E. Francis、Karl J. Doebel、Paula M. Schutte、Ernst F. Bachmann、Robert E. Detlefsen

  DOI：10.1139/v82-180

  日期：1982.5.15

  The synthesis of a wide variety of 9-substituted-3-oxo-3H-2,9-dihydropyridazino[3,4,5-de]phthalazines (11) was achieved by treatment of 3-substituted-3,4-dihydro-4-oxophthalazine-5-carboxylic esters (10) with hydrazine hydrate. These esters were prepared from 3-hydroxyphthalide-7-carboxylic acid (7) by two different routes. Under basic conditions, alkylation of 3-oxo-3H-2,9-dihydropyridazino[3,4,5-de]phthalazine (1) gave 9-substituted products. These undergo further alkylation at the 2-position. Some of them were converted to 3-chloro, 3-thiono, and 3-hydrazino compounds by standard methods. Dehalogenation of selected 3-chloro compounds or desulphurization of 3-thiono derivatives gave 1-substituted-1H-pyridazino[3,4,5-de]phthalazines (22), some of which were also prepared by direct alkylation of the parent heterocycle 2 under basic conditions. However, treatment of 2 or its 1-methyl homologue with methyl iodide resulted in products in which nitrogen attached to carbon had been attacked rather than the 1- or 9-position. Treatment of the acid chloride of 3,4-dihydro-4-oxophthalazine-5-carboxylic acid with methyl hydrazine led to 2-methyl-3-oxo-3H-2,9-dihydropyridazino[3,4,5-de]phfhalazine (21a) which was purified by cyanoethylation at the 9-position, recrystallization, and hydrazinolysis of the cyanoethyl group. Biological testing revealed that many of the compounds lowered blood pressure in animal models but none had a sufficient therapeutic ratio of activity vs. side effects to warrant clinical trial.

  一种广泛的9-取代-3-氧代-3H-2,9-二氢吡啶并[3,4,5-de]邻苯二氮酮（11）的合成是通过将3-取代-3,4-二氢-4-氧代邻苯二酮-5-羧酸酯（10）与水合肼处理而实现的。这些酯是通过两种不同的途径从3-羟基邻苯二酮-7-羧酸（7）制备的。在碱性条件下，3-氧代-3H-2,9-二氢吡啶并[3,4,5-de]邻苯二酮（1）的烷基化产生了9-取代产物。这些产物在2-位进一步发生烷基化。其中一些经过标准方法转化为3-氯、3-硫代和3-肼基化合物。选择性去卤化3-氯化合物或去硫化3-硫代衍生物得到1-取代-1H-吡啶并[3,4,5-de]邻苯二氮酮（22），其中一些也是通过在碱性条件下直接烷基化母环2制备的。然而，用碘甲烷处理2或其1-甲基同分异构体的结果是氮连接到碳而不是1-位或9-位。用甲基肼处理3,4-二氢-4-氧代邻苯二酮-5-羧酸酰氯导致2-甲基-3-氧代-3H-2,9-二氢吡啶并[3,4,5-de]邻苯二氮酮（21a），通过在9-位进行氰基乙基化、再结晶和氰基乙基基团的肼解纯化。生物测试显示许多化合物在动物模型中降低了血压，但没有一个具有足够的活性与副作用之间的治疗比例，值得进行临床试验。