1-phenylhexan-3-amine | 5391-65-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-phenylhexan-3-amine
• 英文别名: 1-(2-Phenylethyl)butylamine
• CAS: 5391-65-1
• 化学式: C₁₂H₁₉N
• mdl: MFCD11655387
• 分子量: 177.29
• InChiKey: VPRXVPWWCRIOJJ-UHFFFAOYSA-N

物化性质

• 沸点：
  142 °C(Press: 25 Torr)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-phenylhexan-3-amine 在 4-二甲氨基吡啶 、 三氟乙酸 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 (2S)-N-(1-phenylhexan-3-yl)piperidine-2-carboxamide
  参考文献：
  名称：

  The Precise Chemical–Physical Nature of the Pharmacore in FK506 Binding Protein Inhibition: ElteX, a New Class of Nanomolar FKBP12 Ligands

  摘要：

  Due to its central role in immunosuppression and cell proliferation and due to its specific peptidyl-prolyl-isomerase (PPI) function, the FKBP protein family is at the crossroad of several important metabolic pathways. Members of this family, and notably R(506 binding protein (FKBP12), are thought to be involved in neurodegenerative diseases such as Alzheimer disease, Parkinson disease, multiple sclerosis, amyotrophic lateral sclerosis, as well as in proliferation disorders and cancer. Using an interdisciplinary approach based on computational, synthetic, and experimental techniques, we show that the best potential binders for FKBP proteins optimally expose the two contiguous carbonyl oxygen in the proline-mimetic chain for FKBP docking and are characterized by the abundance of rigid quasi-cyclic structures stabilized in aqueous solution by intraligand hydrophobic interactions mimicking the macrolide structure of the natural FKBP binders FK506 and Rapamycin. These peculiar structural and chemical-physical features define at the same time an ElteX compound and the minimal pharmacore in the FKBP family, shedding new light on the isomerization mechanism of the PPI domain. On the basis of the above hypothesis, we have successfully designed and synthesized several nanomolar ElteX FKBP12 ligands. Among these, ElteN378 is a new low atomic weight ligand with affinity comparable to that of the macrolide Rapamycin.

  DOI：

  10.1021/jm3015052
• 作为产物：
  描述：

  1-苯基己烷-3-醇 在 吡啶 、 sodium azide 、 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 33.0h， 生成 1-phenylhexan-3-amine
  参考文献：
  名称：

  The Precise Chemical–Physical Nature of the Pharmacore in FK506 Binding Protein Inhibition: ElteX, a New Class of Nanomolar FKBP12 Ligands

  摘要：

  Due to its central role in immunosuppression and cell proliferation and due to its specific peptidyl-prolyl-isomerase (PPI) function, the FKBP protein family is at the crossroad of several important metabolic pathways. Members of this family, and notably R(506 binding protein (FKBP12), are thought to be involved in neurodegenerative diseases such as Alzheimer disease, Parkinson disease, multiple sclerosis, amyotrophic lateral sclerosis, as well as in proliferation disorders and cancer. Using an interdisciplinary approach based on computational, synthetic, and experimental techniques, we show that the best potential binders for FKBP proteins optimally expose the two contiguous carbonyl oxygen in the proline-mimetic chain for FKBP docking and are characterized by the abundance of rigid quasi-cyclic structures stabilized in aqueous solution by intraligand hydrophobic interactions mimicking the macrolide structure of the natural FKBP binders FK506 and Rapamycin. These peculiar structural and chemical-physical features define at the same time an ElteX compound and the minimal pharmacore in the FKBP family, shedding new light on the isomerization mechanism of the PPI domain. On the basis of the above hypothesis, we have successfully designed and synthesized several nanomolar ElteX FKBP12 ligands. Among these, ElteN378 is a new low atomic weight ligand with affinity comparable to that of the macrolide Rapamycin.

  DOI：

  10.1021/jm3015052

文献信息

• Catalytic C(sp ³ )−H Arylation of Free Primary Amines with an <i>exo</i> Directing Group Generated In Situ
  作者：Yan Xu、Michael C. Young、Chengpeng Wang、David M. Magness、Guangbin Dong

  DOI：10.1002/anie.201604268

  日期：2016.7.25

  Herein, we report the palladium‐catalyzed direct arylation of unactivated aliphatic C−H bonds in free primary amines. This method takes advantage of an exo‐imine‐type directing group (DG) that can be generated and removed in situ. A range of unprotected aliphatic amines are suitable substrates, undergoing site‐selective arylation at the γ‐position. Methyl as well as cyclic and acyclic methylene groups

  在这里，我们报告了游离伯胺中未活化的脂肪族CH键的钯催化直接芳基化。该方法利用了可在原位生成和去除的外亚胺型导向基团（DG）。一系列未保护的脂族胺是合适的底物，在γ位置进行位点选择性芳基化。甲基以及环状和无环亚甲基均可被活化。此外，当使用苯胺衍生的底物时，通过δ-CHH芳基化获得了初步的成功。还证明了以催化方式使用DG组分的可行性。
• Maleamic Acids That Affect Plasma Cholesterol and Penicillin Excretion
  作者：Everett M. Schultz、William A. Bolhofer、Albert. Augenblick、John B. Bicking、Charles N. Habecker、J. Kenneth. Horner、Sara F. Kwong、Adolph M. Pietruszkiewicz

  DOI：10.1021/jm00316a043

  日期：1967.7
• METAL HALIDE PEROVSKITE LIGHT EMITTING DEVICE AND METHOD FOR MANUFACTURING SAME
  申请人：SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION

  公开号：US20220194969A1

  公开（公告）日：2022-06-23

  Provided are metal halide perovskite light emitting device and method of manufacturing the same. The metal halide perovskite light emitting device uses perovskite film having a multi-dimensional crystal structure derived from a proton transfer reaction as light emitting layer. Due to self-assembled shell of the perovskite film, ion movement is suppressed and surface defects are removed. Thereby, photoluminescence intensity, luminescence efficiency and lifetime are improved. By injecting a fluorine-based material and a basic material into the PEDOT:PSS conductive polymer used as the conventional hole injection layer, the acidity is controlled and the work function of the interface is improved. Furthermore, chemically stable graphene barrier layer protects the electrode vulnerable to acid, so that a high-efficiency light emitting device can be manufactured.
• [EN] DIAGNOSTIC AND THERAPEUTIC AGENTS<br/>[FR] AGENTS DIAGNOSTIQUES ET THÉRAPEUTIQUES
  申请人：KARYON CTT LTD

  公开号：WO2007113385A1

  公开（公告）日：2007-10-11

  [EN] The present invention relates to tumor targeting units comprising a peptide sequence C_y-Y-G-F-X-W-G-Z-C_yy, or a pharmaceutically or physiologically acceptable salt thereof. The invention further relates to tumor targeting agents comprising at least one targeting unit according to the present invention, directly or indirectly coupled to at least one effector unit. The present invention further relates to diagnostic or pharmaceutical compositions comprising at least one targeting unit or at least one targeting agent according to the present invention, and to the use of targeting units or targeting agents according to the present invention for the preparation of a medicament for the treatment of cancer or cancer related diseases, especially for the treatment of colon/colorectal cancer or its metastases.
  [FR] La présente invention concerne des unités de ciblage de tumeurs comprenant une séquence peptide C _y - Y - G - F - X - W - G - Z - C_yy, ou un sel pharmaceutiquement ou physiologiquement acceptable de celle-ci. L'invention concerne en outre des agents de ciblage de tumeurs comprenant au moins une unité de ciblage selon la présente invention, couplée directement ou indirectement à au moins une unité effectrice. La présente invention a pour objet en outre des compositions diagnostiques ou pharmaceutiques qui comprennent au moins une unité de ciblage ou au moins un agent de ciblage selon la présente invention, et d'utiliser des unités de ciblage ou des agents de ciblage selon la présente invention pour la préparation d'un médicament pour le traitement de cancer ou de maladies cancéreuses, en particulier pour le traitement de cancer du colon/du cancer colorectal ou de leurs métastases.
• [EN] METAL HALIDE PEROVSKITE LIGHT EMITTING DEVICE AND METHOD FOR MANUFACTURING SAME<br/>[FR] DISPOSITIF ÉLECTROLUMINESCENT À BASE DE PÉROVSKITE À HALOGÉNURE MÉTALLIQUE ET SON PROCÉDÉ DE FABRICATION.<br/>[KO] 금속 할라이드 페로브스카이트 발광소자 및 이의 제조방법
  申请人：SEOUL NAT UNIV R&DB FOUNDATION

  公开号：WO2020130592A1

  公开（公告）日：2020-06-25

  본 발명은 금속 할라이드 페로브스카이트 발광소자 및 이의 제조방법에 관한 것으로, 본 발명에 따른 금속 할라이드 페로브스카이트 발광소자는 양성자 이동 반응을 통해 유도된 다차원 결정 구조를 갖는 페로브스카이트 필름을 발광층으로 사용하여 자기조립 쉘에 의해 이온 이동이 억제되고 표면 결함이 제거됨으로써 광발광 강도 및 발광 효율 및 수명을 향상시킬 수 있고, 종래 정공주입층으로 사용된 PEDOT:PSS 전도성 고분자에 불소계 물질 및 염기성 물질을 주입하여 산도를 조절하고 계면의 일함수를 향상시키며, 화학적으로 안정한 그래핀 배리어층이 산에 취약한 전극을 보호함으로써, 고효율의 발광소자를 제작할 수 있다.