2-戊基庚烷-1-醇 | 6345-85-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-戊基庚烷-1-醇
• 英文名称: 2-pentylheptan-1-ol
• 英文别名: 2-pentyl-1-heptanol
• CAS: 6345-85-3
• 化学式: C₁₂H₂₆O
• 分子量: 186.338
• InChiKey: NYVWQUGCZOIWAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2905199090

反应信息

• 作为反应物：
  描述：

  2-戊基庚烷-1-醇 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以1.26 g的产率得到2-pentylheptanal
  参考文献：
  名称：

  Cationic Lipid

  摘要：

  本发明提供了一种阳离子脂质，可用于将核酸传递至细胞质。根据本发明的一种阳离子脂质，例如，是由式（1）表示的化合物或其药学上可接受的盐，其中L1和L2分别表示具有3至10个碳原子的烷基基团；R1和R2分别表示具有4至24个碳原子的烷基基团或具有4至24个碳原子的烯基基团；R3表示具有1至3个碳原子的烷基基团；X1表示单键或CO—O—。

  公开号：

  US20200308111A1
• 作为产物：
  描述：

  二正戊基酮 生成 2-戊基庚烷-1-醇
  参考文献：
  名称：

  信息素，XXV。鳞翅目信息素的烷基分支类似物

  摘要：

  具有支链烷基链的烷基（三苯基）phospho盐可以通过各种方法合成，并通过Z-立体选择性Wittig反应与合适的醛转化为蝴蝶信息素（鳞翅目）的类似物。-用这种方法合成的化合物进行的电生理测量结果（电生理曲线图，EAG）导致了信息素与受体区域之间动态相互作用的模型。

  DOI：

  10.1002/jlac.197919790813

文献信息

• [EN] COMPOUNDS USEFUL IN HIV THERAPY<br/>[FR] COMPOSÉS UTILES DANS LA THÉRAPIE DU VIH
  申请人：VIIV HEALTHCARE CO

  公开号：WO2021194828A1

  公开（公告）日：2021-09-30

  The invention relates to compounds of Formula (I), salts thereof, pharmaceutical compositions thereof, as well as methods of treating or preventing HIV in subjects.

  这项发明涉及公式（I）的化合物，其盐，药物组合物，以及治疗或预防HIV的方法。
• The hydrolysis of C12 primary alkyl sulfates in concentrated aqueous solutions. Part 2. Influence of alkyl structure on hydrolytic reactivity in concentrated aqueous mixtures of sodium primary alkyl sulfates: 1-benzoyl-3-phenyl-1,2,4-triazole as a probe of water activity
  作者：Donald Bethell、Roger E. Fessey、Jan B. F. N. Engberts、David W. Roberts

  DOI：10.1039/b102958b

  日期：——

  The kinetics of the hydrolysis of aqueous solutions of three sodium C12-alkyl sulfates (SXS), sodium 2-methylundecyl sulfate (SMS), sodium cycloundecylmethyl sulfate (SCS) and sodium 2-pentylheptyl sulfate (SPS), has been investigated at concentrations up to 70% and compared with the behaviour of sodium dodecyl sulfate (SDS). The same kinetic form as previously described for SDS was observed, namely, autocatalysis by protons generated via hydrogen sulfate ion, but there were substantial variations in the reactivity as the alkyl structure changed; β-branching reduced the reactivity, particularly for SMS which was the least reactive of the surfactants studied. The patterns of reactivity by the uncatalysed and hydrogen-ion catalysed pathways for the different SXS were rather similar, but it is argued that the results are consistent with an SN2 mechanism for uncatalysed hydrolysis and the concerted SO3 cleavage (or transfer to a pre-associated water molecule)/proton transfer mechanism for the catalytic route, as previously proposed for SDS. Changes in the microenvironment of the sulfate group in aggregates formed from the different SXS are seen as being responsible for much of the rate variation. Attempts have been made to establish the dependence of observed rate constants in dilute solutions of SXS above the c.m.c. on the water activity as indicated empirically by the rate of pH-independent hydrolysis of 1-benzoyl-3-phenyl-1,2,4-triazole (BPT) in the same solutions. It appears, however, that BPT hydrolysis is not a useful guide to water activity in SXS solutions and values of d(ln k)/d(ln [H2O]) are generally much larger than expected on the basis of simple ideas of transition state composition. The effects of surfactant aggregation on the microenvironment in which chemical reactions take place are suggested to be the dominant kinetic influence both on SXS and BPT hydrolysis.

  研究了浓度高达 70% 的三种 C12 烷基硫酸钠（SXS）（2-甲基十一烷基硫酸钠（SMS）、环十一烷基甲基硫酸钠（SCS）和 2-戊基庚基硫酸钠（SPS））水溶液的水解动力学，并将其与十二烷基硫酸钠（SDS）的行为进行了比较。观察到的动力学形式与之前描述的 SDS 相同，即通过硫酸氢离子产生的质子自动催化，但随着烷基结构的变化，反应性也有很大的不同；β 支化降低了反应性，尤其是 SMS，它是所研究的表面活性剂中反应性最低的一种。对于不同的 SXS，非催化和氢离子催化途径的反应性模式相当相似，但有观点认为，结果与非催化水解的 SN2 机制和催化途径的协同 SO3 裂解（或转移到预先结合的水分子）/质子转移机制一致，正如之前针对 SDS 提出的那样。不同 SXS 形成的聚集体中硫酸基团微环境的变化被认为是导致速率变化的主要原因。我们尝试确定在高于 c.m.c. 的 SXS 稀释溶液中观察到的速率常数与水活性的关系，这是在相同溶液中 1-苯甲酰基-3-苯基-1,2,4-三唑（BPT）的水解速率与 pH 值无关的经验值。然而，BPT 的水解似乎并不能有效地指导 SXS 溶液中的水活性，d(ln k)/d(ln [H2O])值通常比根据过渡态组成的简单想法所预期的要大得多。表面活性剂聚集对发生化学反应的微环境的影响被认为是 SXS 和 BPT 水解的主要动力学影响因素。
• NOVEL AMPHIPHILIC COMPOUND HAVING DENDRONIC HYDROPHOBIC GROUP AND APPLICATION THEREOF
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US20200247836A1

  公开（公告）日：2020-08-06

  The present invention relates to an amphiphilic compound having a dendronic hydrophobic group, a method for preparing the same, and a method for extraction, solubilization, stabilization, or crystallization of a membrane protein by using the same. The use of the compound according to the present invention leads to an excellent membrane protein solubilization effect and a stable storage of a membrane protein in an aqueous solution for a long time, and thus can be utilized for functional analysis and structural analysis of the membrane protein. Especially, the amphiphilic compound having a dendronic hydrophobic group showed very remarkable characteristics in the visualization of protein composites through an electronic microscope. The membrane protein structural and functional analysis is one of the fields of greatest interest in current biology and chemistry, and more than half of the new drugs that are currently being developed are targeted at membrane proteins, and thus the amphiphilic compound of the present invention can be applied to membrane protein structure studies closely related to the development of new drugs.

  本发明涉及具有树状疏水基团的两性分子化合物，以及制备该化合物的方法，以及利用该化合物进行膜蛋白的提取、溶解、稳定化或结晶化的方法。根据本发明的化合物的使用导致出色的膜蛋白溶解效果，并使膜蛋白在水溶液中稳定存储较长时间，因此可用于膜蛋白的功能分析和结构分析。特别是，具有树状疏水基团的两性分子化合物在电子显微镜下显示出非常显著的蛋白质复合物可视化特征。膜蛋白的结构和功能分析是当前生物学和化学领域最感兴趣的领域之一，目前正在开发的新药物中超过一半是针对膜蛋白的，因此本发明的两性分子化合物可应用于与新药物开发密切相关的膜蛋白结构研究。
• LIPID COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：US20220273817A1

  公开（公告）日：2022-09-01

  An object of the present invention is to provide a lipid composition capable of achieving excellent nucleic acid delivery for a wide variety of nucleic acids. According to the present invention, there is provided a lipid composition containing a first lipid which is a lipid represented by Formula (1) or a salt thereof, sterols, and nucleic acid, in which a ratio of the number of moles of the first lipid in the lipid composition to the number of moles of sterols in the lipid composition is 0.300 or more and less than 1.299. In the formula, X represents —NR 1 — or —O—, R 1 represents a hydrogen atom, a hydrocarbon group, or the like, R 2 and R 3 each independently represent a hydrogen atom, a hydrocarbon group, or the like, R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , and R 12 each independently represent a hydrogen atom or an alkyl group, groups in any one or more pairs among R 4 and R 5 , R 10 and R 5 , R 5 and R 12 , R 4 and R 6 , R 5 and R 6 , R 6 and R 7 , R 6 and R 10 , R 12 and R 7 , and R 7 and R 8 may be linked to each other to form a 4- to 7-membered ring which may contain an O atom, a, b, c, and d are each independently represent an integer of 0 to 3, a+b is 1 or more, and c+d is 1 or more.

  本发明的目的是提供一种脂质组合物，能够实现对各种核酸的优异递送。根据本发明，提供了一种脂质组合物，其中包含第一脂质，该脂质是由式（1）或其盐所代表的脂质，固醇和核酸，其中第一脂质的摩尔数与固醇的摩尔数之比为0.300或更多，但小于1.299。在公式中，X代表—NR1—或—O—，R1代表氢原子、烃基或类似物，R2和R3各自独立地代表氢原子、烃基或类似物，R4、R5、R6、R7、R8、R9、R10、R11和R12各自独立地代表氢原子或烷基，在R4和R5、R10和R5、R5和R12、R4和R6、R5和R6、R6和R7、R6和R10、R12和R7以及R7和R8中的任意一对中，可以将其相互连接以形成4至7个成员的环，该环中可以含有一个O原子，a、b、c和d各自独立地代表0至3的整数，a+b为1或更多，c+d为1或更多。
• Flankierende Peptide und Verfahren zu ihrer Herstellung
  申请人：CIBA-GEIGY AG

  公开号：EP0356395A2

  公开（公告）日：1990-02-28

  Peptide der Formel I, worin R Wasserstoff oder Acetyl und X die Aminosäuresequenz der Formel -Ser-Leu-Asp-Ser-Pro-Arg-Ser- (Ia) oder der Formel -Arg-Ile-Ile-Ala-Gln- (Ib) bedeuten, und Salze von solchen Verbindungen können zur Behandlung von Erkrankungen mit Osteopenien verwendet werden.

  式 I 的多肽，其中 R 是氢或乙酰基，X 是式 -Ser-Leu-Asp-Ser-Pro-Arg-Ser- (Ia) 或式 -Arg-Ile-Ile-Ala-Gln- (Ib) 的氨基酸序列，以及此类化合物的盐可用于治疗骨质增生疾病。