2-pentylheptanal | 130065-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-pentylheptanal
• CAS: 130065-84-8
• 化学式: C₁₂H₂₄O
• 分子量: 184.322
• InChiKey: QRYMWDVGBCPJKI-UHFFFAOYSA-N

物化性质

• 沸点：
  240.6±8.0 °C(Predicted)
• 密度：
  0.821±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-pentylheptanal 在 三乙胺 作用下， 以 various solvent(s) 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Discovery of Potent, Nonsystemic Apical Sodium-Codependent Bile Acid Transporter Inhibitors (Part 1)

  摘要：

  Elevated plasma levels of low-density lipoprotein (LDL) cholesterol are a major risk factor for atherosclerosis leading to coronary artery disease (CAD), which remains the main cause of mortality in Western society. We believe that by preventing the reabsorption of bile acids, a minimally absorbed apical sodium-codependent bile acid transporter (ASBT) inhibitor would lower the serum cholesterol without the potential systemic side effects of an absorbed drug. A series of novel benzothiepines (3R,3R'-2,3,4,5-tetrahydro-5-aryl-l-benzothiepin-4-ol 1,1-dioxides) were synthesized and tested for their ability to inhibit the apical sodium dependent bile acid transport (ASBT)-mediated uptake of [C-14]taurocholate (TC) in H14 cells. A 3R,4.R,5R13S,4S,5S racemate was found to have greater potency than the other three possible racemates. Addition of electron-donating groups such as a dimethylamino substituent at the 7 position greatly enhanced potency, and incorporation of a long-chain quaternary ammonium substituent on the 5-phenyl ring was useful in minimizing systemic exposure of this locally active ASBT inhibitor while also increasing water solubility and maintaining potency. The reported results describe the synthesis and SAR development of this benzothiepine class of ASBT inhibitors resulting in an 6000-fold improvement in ASBT inhibition with desired minimal systemic exposure of this locally acting drug candidate.

  DOI：

  10.1021/jm040215+
• 作为产物：
  描述：

  二正戊基酮 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 26.0h， 生成 2-pentylheptanal
  参考文献：
  名称：

  [EN] NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME
  [FR] NOUVEAUX LIPIDES ET NANOPARTICULES LIPIDIQUES IONISABLES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本研究公开了可用于递送治疗载体的新型可离子化脂质和脂质纳米颗粒。

  公开号：

  WO2023091787A1

文献信息

• GLYCERYL ASCORBIC ACID ACYLATED DERIVATIVE OR ITS SALT, PRODUCTION METHOD THEREOF, AND COSMETICS
  申请人：YOSHIOKA Masato

  公开号：US20130204017A1

  公开（公告）日：2013-08-08

  A glyceryl ascorbic acid acylated derivative or its salt, which has an ascorbic acid structure where 2- and/or 3-positions of the structure are substituted with glyceryl groups and some of the hydroxyl groups in the structure and/or in the glyceryl group are acylated, a production method of the glyceryl ascorbic acid acylated derivative and a cosmetic containing the glyceryl ascorbic acid acylated derivative or its salt are provided.

  提供一个甘油抗坏血酸酰化衍生物或其盐，其具有抗坏血酸结构，其中2-和/或3-位被甘油基团取代，并且结构中的一些羟基和/或甘油基团被酰化，提供甘油抗坏血酸酰化衍生物的生产方法，以及包含甘油抗坏血酸酰化衍生物或其盐的化妆品。
• Cationic Lipid
  申请人：EISAI R&D MANAGEMENT CO., LTD.

  公开号：US20200308111A1

  公开（公告）日：2020-10-01

  The present invention provides a cationic lipid which is able to be used for nucleic acid delivery to the cytoplasm. A cationic lipid according to the present invention is, for example, a compound represented by formula (1) or a pharmaceutically acceptable salt thereof, wherein L 1 and L 2 independently represent an alkylene group having 3 to 10 carbon atoms; R 1 and R 2 independently represent an alkyl group having 4 to 24 carbon atoms or an alkenyl group having 4 to 24 carbon atoms; R 3 represents an alkyl group having 1 to 3 carbon atoms; and X 1 represents a single bond or CO—O—.

  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—。
• Regio‐ and Diastereoselective [3+2] Annulation of Aliphatic Aldimines with Alkenes by Scandium‐Catalyzed β‐C(sp ³ )−H Activation
  作者：Xuefeng Cong、Qingde Zhuo、Na Hao、Zhenbo Mo、Gu Zhan、Masayoshi Nishiura、Zhaomin Hou

  DOI：10.1002/anie.202115996

  日期：2022.2.7

  Half-sandwich scandium catalysts serve as a unique platform for the regio- and diastereoselective [3+2] annulation of aliphatic aldimines with alkenes via β-C(sp3)−H activation, affording a new family of multi-substituted aminocyclopentane derivatives from easily accessible aldimines and alkenes with broad substrate scope, high regio-, diastereoselectivity and 100 % atom-efficiency.

  半夹心钪催化剂作为一个独特的平台，通过 β-C(sp 3 )-H 活化，使脂肪族醛亚胺与烯烃发生区域选择性和非对映选择性 [3+2] 环化反应，从而提供了一个新的多取代氨基环戊烷衍生物家族易于获得的醛亚胺和烯烃，具有广泛的底物范围、高区域选择性、非对映选择性和 100% 原子效率。
• PROPYL-PHENYL-ETHER DERIVATIVE, AND MELANOGENESIS INHIBITOR, SKIN-LIGHTENING AGENT, ANTIMICROBIAL AGENT AND COSMETIC CONTAINING SAID PROPYL-PHENYL-ETHER DERIVATIVE
  申请人：SEIWA KASEI COMPANY, LIMITED

  公开号：US20150238401A1

  公开（公告）日：2015-08-27

  Provided is a compound that exhibits an excellent melanogenesis-inhibiting effect (skin-lightening effect), exhibits an excellent antimicrobial effect, excels in terms of temporal stability and the like, and is suitable for use as an ingredient of a cosmetic. Said compound is a propyl-phenyl-ether derivative compound comprising a propyl group that has a substituent such as a hydroxyl group and is bound to the hydroxyl group of a phenol group that has a substituent such as a tert-butyl group. A melanogenesis inhibitor, skin-lightening agent, and antimicrobial agent containing the aforementioned compound as an active ingredient are also provided, as is a cosmetic characterized by containing said compound.

  提供了一种化合物，具有出色的黑色素生成抑制作用（美白作用），表现出出色的抗菌作用，在时间稳定性等方面表现出色，并适用于作为化妆品成分。该化合物是一种丙基苯醚衍生物化合物，包括一个丙基基团，其具有类似于羟基的取代基，并与具有类似于叔丁基的取代基的酚基的羟基结合。还提供了一种含有上述化合物作为活性成分的黑色素生成抑制剂，美白剂和抗菌剂，以及一种含有该化合物的化妆品。
• Bis(Benzofuran–1,3-N,N-heterocycle)s as Symmetric and Synthetic Drug Leads against Yellow Fever Virus
  作者：Nitesh K. Gupta、Srinivasan Jayakumar、Wen-Chieh Huang、Pieter Leyssen、Johan Neyts、Sergey O. Bachurin、Jih Ru Hwu、Shwu-Chen Tsay

  DOI：10.3390/ijms232012675

  日期：——

  The yellow fever virus (YFV) is an emerging RNA virus and has caused large outbreaks in Africa and Central and South America. The virus is often transmitted through infected mosquitoes and spreads from area to area because of international travel. Being an acute viral hemorrhagic disease, yellow fever can be prevented by an effective, safe, and reliable vaccine, but not be eliminated. Currently, there is no antiviral drug available for its cure. Thus, two series of novel bis(benzofuran–1,3-imidazolidin-4-one)s and bis(benzofuran–1,3-benzimidazole)s were designed and synthesized for the development of anti-YFV lead candidates. Among 23 new bis-conjugated compounds, 4 of them inhibited YFV strain 17D (Stamaril) on Huh-7 cells in the cytopathic effect reduction assays. These conjugates exhibited the most compelling efficacy and selectivity with an EC50 of <3.54 μM and SI of >15.3. The results are valuable for the development of novel antiviral drug leads against emerging diseases.

  黄热病病毒（YFV）是一种新出现的 RNA 病毒，曾在非洲、中美洲和南美洲大规模爆发。该病毒通常通过受感染的蚊子传播，并因国际旅行而在不同地区之间传播。作为一种急性病毒性出血性疾病，黄热病可以通过有效、安全和可靠的疫苗来预防，但无法根除。目前，还没有可以治愈黄热病的抗病毒药物。因此，我们设计并合成了两个系列的新型双（苯并呋喃-1,3-咪唑烷-4-酮）和双（苯并呋喃-1,3-苯并咪唑），用于开发抗黄热病病毒的先导候选药物。在 23 个新的双共轭化合物中，有 4 个在细胞病理效应降低试验中对 Huh-7 细胞上的 YFV 毒株 17D (Stamaril) 有抑制作用。这些共轭物的EC50为3.54 μM，SI为15.3，具有最显著的疗效和选择性。这些结果对于开发新的抗病毒药物线索以应对新出现的疾病具有重要价值。