(4-溴丁基)氨基甲酸苄酯 | 101625-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-溴丁基)氨基甲酸苄酯
• 英文名称: N-benzyloxycarbonyl-4-bromo-1-butylamine
• 英文别名: N-[(phenylmethoxy)carbonyl]-4-bromobutylamine；Benzyl (4-bromobutyl)carbamate；benzyl N-(4-bromobutyl)carbamate
• CAS: 101625-10-9
• 化学式: C₁₂H₁₆BrNO₂
• 分子量: 286.169
• InChiKey: VYXYYVDRCHWCOP-UHFFFAOYSA-N

物化性质

• 沸点：
  398.8±35.0 °C(Predicted)
• 密度：
  1.338±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-溴丁基)氨基甲酸苄酯 在 三乙酰氧基硼氢化钠 、 potassium carbonate 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 benzyl 4-(7-fluoro-8-(2-(4-((3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino)-2-oxabicyclo[2.2.2]octan-1-yl)ethyl)-1,5-naphthyridin-2-yloxy)butylcarbamate
  参考文献：
  名称：

  氧杂双环辛烷连接的新型细菌拓扑异构酶抑制剂的C-2醚取代的1,5-萘啶类似物的结构活性关系作为广谱抗菌剂（第5部分）

  摘要：

  氧杂双环辛烷连接的新型细菌拓扑异构酶抑制剂（NBTI）是最近报道的一类新型广谱抗菌剂。它们靶向细菌DNA促旋酶和拓扑异构酶IV，并结合到不同于喹诺酮的位点。它们对已知的抗生素没有交叉耐药性，并提供了对抗耐药菌的机会。描述了与1，5-萘啶氧杂双环辛烷连接的NBTI的C-2取代的醚类似物的结构活性关系。已经总结出总共63种类似物的合成和抗菌活性，它们代表烷基，环烷基，氟代烷基，羟烷基，氨基烷基和羧基烷基醚。所有化合物均针对三种革兰氏阳性菌和革兰氏阴性菌以及hERG结合活性进行了测试。还测试了许多关键化合物的功能性hERG活性。在鼠菌血症模型中评价了六种化合物的功效。金黄色葡萄球菌感染。对于金黄色葡萄球菌活性，在C-2处观察到对醚取代（包括极性基团，例如氨基和羧基）的显着耐受性，但是对于粪肠球菌和革兰氏阴性菌株而言，情况并非如此。降低的c  log  D通常显示出降低的hERG活性和改善的体内功

  DOI：

  10.1016/j.bmcl.2015.06.061
• 作为产物：
  描述：

  4-(Z-氨基)-1-丁醇 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到(4-溴丁基)氨基甲酸苄酯
  参考文献：
  名称：

  Toward Efficient Zn(II)-Based Artificial Nucleases

  摘要：

  A series of cis-cis-triaminocyclohexane Zn(II) complex-anthraquinone intercalator conjugates, designed in such a way to allow their easy synthesis and modification, have been investigated as hydrolytic cleaving agents for plasmid DNA. The ligand structure comprises a triaminocyclohexane platform linked by means of alkyl spacers of different length (from C-4 to C-8) to the anthraquinone group which may intercalate the DNA. At a concentration of 5 muM, the complex of the derivative with a C-8 alkyl spacer induces the hydrolytic stand scission of supercoiled DNA with a rate of 4.6 x 10(-6) s(-1) at pH 7 and 37 degreesC. The conjugation of the metal complex with the anthraquinone group leads to a 15-fold increase of the cleavage efficiency when compared with the anthraquinone lacking Zn-triaminocyclohexane complex. The straightforward synthetic procedure employed, allowing a systematic change of the spacer length, made possible to gain more insight on the role of the intercalating group in determining the reactivity of the systems. Comparison of the reactivity of the different complexes shows a remarkable increase of the DNA cleaving efficiency with the length of the spacer. In the case of too-short spacers, the advantages due to the increased DNA affinity are canceled due to the incorrect positioning of the reactive group, thus leading to cleavage inhibition.

  DOI：

  10.1021/ja039465q

文献信息

• Indol-3-yl derivatives
  申请人：——

  公开号：US20040138284A1

  公开（公告）日：2004-07-15

  Indol-3-yl derivatives of the general formula I 1 in which A, B, X, R 1 , R 2 , R 3 , R 4 , R 5 , n and m are as defined in Patent Claim 1, and their physiologically acceptable salts or solvates are integrin inhibitors and can be employed for combating thromboses, cardiac infarction, coronary heart diseases, arteriosclerosis, inflammations, tumours, osteoporosis, rheumatic arthritis, macular degenerative disease, diabetic retinopathy, infections and restenosis after angioplasty or in pathological processes maintained or propagated by angiogenesis.

  通用公式I的Indol-3-基衍生物 其中A、B、X、R1、R2、R3、R4、R5、n和m的定义如专利权要求书中所定义 1， 及其生理上可接受的盐或溶剂是整合素抑制剂，可用于对抗血栓形成、心肌梗死、冠心病、动脉硬化、炎症、肿瘤、骨质疏松症、风湿性关节炎、黄斑变性疾病、糖尿病视网膜病变、感染以及血管成形术后的再狭窄或由血管生成维持或传播的病理过程。
• Phosphonic acid derivatives having carboxypeptidase b inhibitory activity
  申请人：Meiji Seika Kaisha Ltd.

  公开号：US06576627B1

  公开（公告）日：2003-06-10

  A compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof: wherein R1 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like; R2 and R3 represent hydrogen atom, an alkyl group, a substituted alkyl group, an alkoxyl group and the like; X represents —CH2—, —O—, or —NH—; A represents the following group (II): [in which R7 and R8 represent hydrogen atom, an alkyl group, an acyl group, an alkoxycarbonyl group and the like; R9 and R10 represents hydrogen atom, a halogen atom, hydroxyl group, phenyl group, an alkyl group and the like] and the like; and E represents hydrogen atom and the like, which has inhibitory activity against carboxypeptidase B and is useful for therapeutic and/or preventive treatment of a thrombotic disease.

  以下是通用公式（I）及其药理学上可接受的盐所代表的化合物： 其中R1代表氢原子、烷基、取代烷基等；R2和R3代表氢原子、烷基、取代烷基、烷氧基等；X代表—CH2—、—O—或—NH—；A代表以下的基团（II）： 【其中R7和R8代表氢原子、烷基、酰基、烷氧羰基等；R9和R10代表氢原子、卤素原子、羟基、苯基、烷基等】等；E代表氢原子等，具有对羧肽酶B的抑制活性，并且对治疗和/或预防血栓性疾病有用。
• Conjugates between minor groove binders and Zn(II)-tach complexes: Synthesis, characterization, and interaction with plasmid DNA
  作者：Claudia Sissi、Luca Dovigo、Maria Laura Greco、Antonella Ciancetta、Stefano Moro、Jakub W. Trzciński、Fabrizio Mancin、Paola Rossi、Giampiero Spalluto、Paolo Tecilla

  DOI：10.1016/j.tet.2017.04.013

  日期：2017.5

  of conjugates between a Zn(II)-tach complex and (indole)2 or benzofuran-indole amide minor groove binders connected through alkyl or oxyethyl linkers of different lengths has been prepared. The conjugates bind strongly to DNA. However, the complexation to DNA to promote the Zn(II) catalyzed hydrolytic cleavage of the DNA results instead in its inhibition. This inhibition effect has been confirmed also

  Zn（II）-tach络合物和（吲哚）2之间的新的共轭物家族已经制备了通过不同长度的烷基或氧乙基接头连接的苯并呋喃-吲哚酰胺或苯并呋喃-吲哚酰胺小沟粘合剂。结合物与DNA牢固结合。但是，与DNA的络合促进了Zn（II）催化的DNA的水解裂解，反而导致了对DNA的抑制。使用Cu（II）也已经证实了这种抑制作用。建模研究表明，在最稳定的复合物构象中，小沟结合剂和接头位于小沟中，阻碍了金属配合物与DNA磷酸盐骨架之间的相互作用。因此，小沟槽粘合剂-连接剂-金属络合物的线性排列似乎对于确保紧密结合是有效的，但是从水解的观点来看是无效的。
• [EN] BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS BICYCLIQUES PONTÉS POUR LE TRAITEMENT DES INFECTIONS BACTÉRIENNES
  申请人：KYORIN SEIYAKU KK

  公开号：WO2013003383A1

  公开（公告）日：2013-01-03

  Novel bridged bicyclic compounds are disclosed herein, along with their pharmaceutically acceptable salts, hydrates and prodrugs. Also disclosed are compositions comprising such compounds, methods of preparing such compounds and methods of using such compounds as antibacterial agents. The disclosed compounds, their pharmaceutically acceptable salts, hydrates and prodrugs, as well as compositions comprising such compounds, salts, hydrates and prodrugs, are useful for treating bacterial infections and associated diseases and conditions.

  本文披露了新型桥环双环化合物，以及它们的药用盐、水合物和前药。还披露了包含这些化合物的组合物，制备这些化合物的方法以及将这些化合物用作抗菌剂的方法。所披露的化合物、其药用盐、水合物和前药，以及包含这些化合物、盐、水合物和前药的组合物，可用于治疗细菌感染及相关疾病和症状。
• Selective Synthesis and Kinetic Measurement of 1:1 and 2:2 Cyclic Compounds Containing 1,4,7,10-Tetraazacyclododecane and Azobenzene Units
  作者：Wen-hao Wei、Takenori Tomohiro、Masato Kodaka、Hiroaki Okuno

  DOI：10.1021/jo000926p

  日期：2000.12.1

  1:1 cyclic compounds 8a-c (51-55%) and 2:2 cyclic compounds 9a-c (20-49%) containing 1,4,7,10-tetraazacyclododecane (cyclen) and azobenzene units were selectively synthesized under UV irradiation (330 nm < lambda < 380 nm) and in the dark. Synthesis depended on the wavelength of irradiation light and the length of methylene chains of the linker between the cyclen and azobenzene units. A study of NMR

  在紫外线下选择性合成了包含1,4,7,10-四氮杂环十二烷（环烷）和偶氮苯单元的1：1环状化合物8a-c（51-55％）和2：2环状化合物9a-c（20-49％）辐射（330 nm