3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate | 123628-75-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate
• 英文别名: N'-cholesteryloxy-3-carbonyl-1,2-diaminoethane；cholesteryl (2-aminoethyl)carbamate；(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-aminoethyl)carbamate；N-cholesterylformylethylenediamine；[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(2-aminoethyl)carbamate
• CAS: 123628-75-1
• 化学式: C₃₀H₅₂N₂O₂
• 分子量: 472.755
• InChiKey: QYFPQEYHSUDNAS-NXUCFJMCSA-N

物化性质

• 熔点：
  164-167 °C
• 沸点：
  574.2±39.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[[4-[4-(11-oxo-3,19-dithia-11lambda5-phosphapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaen-11-yl)triazol-1-yl]benzoyl]amino]ethyl]carbamate
  参考文献：
  名称：

  Synthesis and Properties of Cholesteric Click-Phospholes

  摘要：

  Inspired by naturally occurring helical supramolecular architectures, a series of chiral conjugated phospholes with a cholesteryl pendant have been synthesized and characterized. The photophysically and electrochemically active conjugated phosphole species can act as dopants for the formation of chiral liquid crystals. The supramolecular structures were found to be tunable by careful choice of the conjugated headgroup as well as the rigidity of the linker of the new cholesteric phospholes.

  DOI：

  10.1021/ol500129p
• 作为产物：
  描述：

  胆固醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate
  参考文献：
  名称：

  L-脯氨酸/胆固醇和薯os皂甙元为基础的硫脲协同系统，用于在水存在下直接不对称羟醛反应

  摘要：

  合成了一系列胆固醇和基于疏水性的尿素和硫脲化合物，并成功地将其作为水存在下L-脯氨酸催化的羟醛反应的助催化剂。获得抗构型产物，具有良好的产率（高达94％），高的非对映选择性（高达95∶5）和高的对映体过量（高达93％ee）。L-脯氨酸在水存在下催化效率的成功结果表明，胆固醇和硫脲的薯os皂苷元部分的疏水性对在水存在下的反应性和选择性至关重要。

  DOI：

  10.3906/kim-2003-36

文献信息

• [EN] CELLULAR SIGNALLING INHIBITORS, THEIR FORMULATIONS AND METHODS THEREOF<br/>[FR] INHIBITEURS DE SIGNALISATION CELLULAIRE, LEURS FORMULES ET LEURS PROCÉDÉS
  申请人：INVICTUS ONCOLOGY PVT LTD

  公开号：WO2017137958A1

  公开（公告）日：2017-08-17

  The present disclosure relates generally to Cellular Signalling inhibitors of compound of Formula (I), compositions and formulations comprising the same, methods, processes, and uses thereof. In particular, the present disclosure provides CSF-1R inhibitors demonstrating sustained inhibition of CSF/CSF1R signalling pathway with decreased toxicity. The present disclosure also provides supramolecular combinatorial therapeutics, wherein a CSF-1R inhibitor is combined with one or more of a chemotherapeutic agent, a kinase inhibitor, and an immunoregulator, each of which is optionally conjugated with a lipid. The present disclosure also provides a method for treating cancer, allergy, Systemic lupus erythematosus, nephritis, Chronic Obstructive Pulmonary Disease, and abnormal macrophage functions or any combinations thereof.

  本公开涉及一般细胞信号传导抑制剂，涉及式(I)的化合物、包含该化合物的组合物和制剂、以及它们的方法、过程和使用。特别是，本公开提供了CSF-1R抑制剂，它们表现出对CSF/CSF1R信号通路的持续抑制，并且毒性降低。本公开还提供了超分子组合疗法，其中CSF-1R抑制剂与一个或多个化疗剂、激酶抑制剂和免疫调节剂结合，其中每个可选地与脂质偶联。本公开还提供了一种治疗癌症、过敏、系统性红斑狼疮、肾炎、慢性阻塞性肺病和异常巨噬细胞功能或其任何组合的方法。
• NANOSCALE PLATINUM COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Sengupta Shiladitya

  公开号：US20120189571A1

  公开（公告）日：2012-07-26

  The invention is directed to biocompatible conjugated polymer nanoparticles including a copolymer backbone, a plurality of sidechains covalently linked to said backbone, and a plurality of platinum compounds dissociably linked to said backbone. The invention is also directed to dicarbonyl-lipid compounds wherein a platinum compound is dissociably linked to the dicarbonyl compound. The invention is also directed to methods of treating cancer or metastasis. The methods includes selecting a subject in need of treatment for cancer or metastasis and administering to the subject an effective amount of any of the nanoparticles, compounds, or compositions of the invention.

  这项发明涉及生物相容性共轭聚合物纳米颗粒，包括一个共聚物骨架，多个共价连接到该骨架的侧链，以及多个可解离地连接到该骨架的铂化合物。该发明还涉及二羰基脂类化合物，其中铂化合物可可解离地连接到二羰基化合物。该发明还涉及治疗癌症或转移的方法。该方法包括选择需要癌症或转移治疗的受试者，并向受试者施用该发明的任何纳米颗粒、化合物或组合物的有效量。
• Thermo- and Acid-Responsive Photochromic Spironaphthoxazine-Containing Organogelators
  作者：Yongguang Li、Keith Man-Chung Wong、Anthony Yiu-Yan Tam、Lixin Wu、Vivian Wing-Wah Yam

  DOI：10.1002/chem.201000150

  日期：2010.8.2

  A series of photochromic spironaphthoxazine derivatives has been designed, synthesized, and characterized by using 1H NMR spectroscopy, FAB mass spectrometry, and elemental analysis. Their photophysical and photochromic behavior have been investigated. Two of the compounds (G12‐en‐SA‐SO and G16‐en‐SA‐SO) have been shown to be capable of forming stable thermoreversible organogels in organic solvents

  通过使用1 H NMR光谱，FAB质谱和元素分析，设计，合成和表征了一系列光致变色螺萘并恶嗪衍生物。已经研究了它们的光物理和光致变色行为。两种化合物（G 12 -en-SA-SO和G 16 -en-SA-SO）已证明能够在有机溶剂中形成稳定的热可逆有机凝胶，并通过“稳定转化试验”进行了测试。管”方法。p-的加法发现甲苯磺酸在低于临界胶凝浓度（cgc）的浓度下诱导形成稳定的有机凝胶，并伴随着颜色从无色到紫色的变化。干凝胶的透射电子显微镜和扫描电子显微镜在微米级显示出典型的纤维结构。通过在各种温度下的动力学研究，已确定了乙醇中的G 8 en-SA-SO和凝胶态的G 16 en-SA-SO的漂白反应的活化参数。结果表明，凝胶态的漂白反应速率比溶液态的漂白反应速率慢得多。
• Fluorescent mimics of cholesterol that rapidly bind surfaces of living mammalian cells
  作者：David Hymel、Sutang Cai、Qi Sun、Rebecca S. Henkhaus、Chamani Perera、Blake R. Peterson

  DOI：10.1039/c5cc06325f

  日期：——

  Novel analogues of cholesterol are rapidly and massively incorporated into the plasma membrane of living mammalian cells through a receptor-mediated pathway.

  新型类固醇类似物通过受体介导的途径迅速大量地被纳入活体哺乳动物细胞的质膜中。
• Click chemistry-assisted, bis-cholesteryl-appended, isosorbide-based, dual-responsive organogelators and their self-assemblies
  作者：R. Balamurugan、Y.-S. Zhang、S. Fitriyani、J.-H. Liu

  DOI：10.1039/c6sm00447d

  日期：——

  the gel, which was further evidenced by 1H-NMR and SEM analysis. However, the gel stability of BCIE was enhanced by the addition of Pd2+ and Zn2+ in the presence of pyridine, whereas the gel collapsed in other solvents, which may be due to the chelating effect of the pyridine moiety. Another interesting feature of this gel is that when using the gelator as a stabilizer, stable water in oil (W/O) gel-emulsions

  设计了一系列新的对称的，双胆固醇附加的异山梨醇衍生物（BCIE，BCIC 2和BCIC 4）作为胶凝剂，以响应其环境的变化并成功合成。在这些衍生物中，BCIE可以凝胶化多种有机溶剂（23种溶剂），这表明BCIE比BCIC 2和BCIC 4更具通用性。。凝胶的CGC在1-己醇中为1.53 mM，在吡啶中为23 mM。在不同溶剂中的胶凝能力的结果表明，改变与胆固醇单元相连的连接基团（酯/氨基甲酸酯）可以使化合物的胶凝行为发生巨大变化。可以通过改变有机溶剂的类型来调节形成的有机凝胶的形态。电子显微镜研究的结果表明，随着溶剂的变化，胶凝剂分子自组装成不同的聚集体，从起皱的纤维到致密的纤维。BCIE的凝胶1-己醇和1-辛醇中的α-环糊精显示出强CD（圆二色性）信号，表明凝胶化在这些凝胶体系中诱导了超分子手性。根据FTIR和可变温度1 H-NMR分析，范德华和π–π堆积（来自1,2,3-三唑和芳香族单