Alpha-皮甾五醇 | 516-38-1

• 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
• 中文名称: Alpha-皮甾五醇
• 中文别名: 5Β-孕甾烷-3Α,11Β,17Α,20Β,21-五醇；Α-皮甾五醇；α-皮甾五醇；5β-孕甾烷-3α,11β,17α,20α,21-五醇
• 英文名称: cortol
• 英文别名: α-cortol；5β-pregnane-3α,11β,17α,20β,21-pentaol；(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
• CAS: 516-38-1
• 化学式: C₂₁H₃₆O₅
• 分子量: 368.514
• InChiKey: FFPUNPBUZDTHJI-XPOJVAQCSA-N

物化性质

• 熔点：
  >229oC (dec.)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  101
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Alpha-皮甾五醇 、 N,O-bis-(diethylhydrogensilyl)trifluoroacetamide (DEHS-BSTFA) 以 吡啶 为溶剂， 反应 1.0h， 生成 5β-pregnane-3α,11β,17α,20β,21-pentaol 3,11,21-tris-DEHS-17,20-DES derivate
  参考文献：
  名称：

  Diethylhydrogensilyl cyclic diethylsilylene derivatives in gas chromatography/mass spectrometry of hydroxylated steroids. III-Fragmentations of 5β-pregnane-17,20,21-triol derivatives

  摘要：

  AbstractA reaction of N,O‐bis‐(diethylhydrogensilyl) trifluoroacetamide with 5β‐pregnane‐17,20,21‐triols afforded diethylhydrogensilyl (DEHS) cyclic diethylsilylene (DES) derivatives. 5β‐Pregnane‐3α,17α,20β,21‐tetraol yielded the 3α,21‐bis‐DEHS‐17α,20β‐DES compound, whereas the structure of the major product from its 20α isomer was assigned as the 3α,17α‐bis‐DEHS‐20α,21‐DES derivative, which would undergo facile isomerization to the unstable 3α,21‐bis‐DEHS‐17α,20α‐DES structure under electron ionization. Fragmentations of these DEHS‐DES compounds are discussed on the basis of isotope labelling experiments, linked scanning data, and accurate mass measurements.

  DOI：

  10.1002/oms.1210220107
• 作为产物：
  描述：

  3α,20α,21-Triacetoxy-17α-hydroxy-11-oxo-5β-pregnan 在 lithium aluminium tetrahydride 作用下， 生成 Alpha-皮甾五醇
  参考文献：
  名称：

  Fukushima et al., Journal of Biological Chemistry, 1955, vol. 212, p. 449,455

  摘要：

  DOI：

文献信息

• Synthesis of cortol 3-glucuronides and cortolone 3-glucuronides.
  作者：HIROSHI HOSODA、HIROMITSU YOKOHAMA、TOSHIO NAMBARA

  DOI：10.1248/cpb.32.4023

  日期：——

  The synthesis of the 3-glucuronides of 20α-cortolone and their 20β-epimers is described. The cortol 20, 21-diacetates (3, 10) and cortolone 20, 21-diacetates (6, 12) were the key intermediates. Sodium borohydride reduction of the carbonyl group at C-20 in 21-acetoxy-3α, 11β, 17α-trihydroxy-5β-pregnan-20-one 3-tert-butyldimethylsilyl ether (1) or its 11-oxo derivative (4) followed by acetylation of the product with acetic anhydride gave the silyl ether-acetates (2, 5), which, on removal of the protecting group at C-3 with sulfuric acid, were converted into the desired 20β-intermediates (3, 6). On the other hand, the 20α-acetates, 10 and 12, were synthesized from methyl 20α-acetoxy-3α-tert-butyldimethylsilyloxy-17α-hydroxy-11-oxo-5β-pregnan-21-oate (7). Introduction of the glucuronyl residue at the C-3 position was carried out by means of the Koenigs-Knorr reaction.

  本文描述了 20α -可的松酮的 3-葡萄糖醛酸及其 20β -表聚物的合成过程。可的松 20，21-二乙酸酯（3，10）和可的松 20，21-二乙酸酯（6，12）是关键的中间体。硼氢化钠还原 21-乙酰氧基-3α，11β，17α-三羟基-5β-孕甾-20-酮 3-叔丁基二甲基硅醚（1）或其 11-氧代衍生物（4）中 C-20 处的羰基，然后用乙酸酐对产物进行乙酰化，得到硅醚-乙酸酯（2、5），用硫酸去除 C-3 处的保护基团后，这些产物转化为所需的 20β 中间体（3、6）。另一方面，20α-乙酸酯 10 和 12 是由 20α-acetoxy-3α-ter-butyldimethylsilyloxy-17α-hydroxy-11-oxo-5β-pregnan-21-oate 甲酯合成的（7）。通过柯尼希斯-克诺尔反应在 C-3 位置引入葡萄糖醛酸残基。
• ASSAY FOR ANALYTES USING MULTIPLE RECEPTORS
  申请人：Lewisch Sandra A.

  公开号：US20120045847A1

  公开（公告）日：2012-02-23

  A method for determining an analyte in a sample suspected of containing the analyte comprises providing in combination a medium, the sample, and two or more different receptors. Each different receptor binds to at least two different epitopic sites. One of the epitopic sites is a common binding site and one of the epitopic sites is non-common binding site. The non-common epitopic sites are different for each different receptor. The receptors exhibit mono-molecular binding. The medium is incubated under conditions for binding of the receptors to the epitopic sites. The medium is examined for the presence and/or amount of complexes comprising the epitopic sites and the receptors. The presence and/or amount of the complexes indicate the presence and/or amount of the analyte in the sample.

  一种用于测定样品中可能含有的分析物的方法，包括将介质、样品和两个或更多不同的受体组合在一起。每个不同的受体结合至少两个不同的表位。其中一个表位是共同的结合位点，另一个表位是非共同的结合位点。非共同表位对于每个不同的受体是不同的。受体表现出单分子结合。在结合受体到表位的条件下，孵育介质。检查介质中是否存在并/或复合物的数量，包括表位和受体。复合物的存在和/或数量表明样品中存在和/或分析物的数量。
• CORONARY HEART DISEASE BIOMARKER AND APPLICATION THEREOF
  申请人：BGI Shenzhen

  公开号：EP3339858A1

  公开（公告）日：2018-06-27

  The present invention provides a coronary heart disease (CHD) biomarker and application thereof. Specifically, a biomarker set is provided. The set comprises multiple kinds of biomarkers and may be used for the CHD risk assessment of an object to be tested or for the CD diagnosis of the object to be tested. The present invention also provides a kit containing the biomarker set and the application of the biomarker set in CHD risk assessment and CHD diagnosis.

  本发明提供了一种冠心病（CHD）生物标志物及其应用。具体而言，本发明提供了一套生物标记物。该组生物标记物包括多种生物标记物，可用于待测对象的冠心病风险评估或待测对象的冠心病诊断。本发明还提供了一种包含该生物标志物集的试剂盒，以及该生物标志物集在冠心病风险评估和冠心病诊断中的应用。
• QUINOLINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR TREATING EWING'S SARCOMA
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：EP3957631A1

  公开（公告）日：2022-02-23

  The present invention belongs to the field of medicine, and provides a quinoline compound or a pharmaceutically acceptable salt thereof for treating Ewing's sarcoma, and particularly relates to use of compound I or a pharmaceutically acceptable salt thereof in the preparation of a medicament for treating Ewing's sarcoma and use of compound I or a pharmaceutically acceptable salt thereof in combination with a second therapeutic agent in the preparation of a combination medicament for treating Ewing's sarcoma. The chemical name of compound I is 1-[[[4-(4-fluoro-2-methyl-1H-indol-5-yl)oxy-6-methoxyquinolin-7-yl]oxy]methyl]cyclopropanamine.

  本发明属于医药领域，提供了一种用于治疗尤文氏肉瘤的喹啉化合物或其药学上可接受的盐，尤其涉及化合物I或其药学上可接受的盐在制备治疗尤文氏肉瘤的药物中的用途，以及化合物I或其药学上可接受的盐与第二种治疗剂组合在制备治疗尤文氏肉瘤的联合药物中的用途。化合物 I 的化学名称为 1-[[[4-(4-氟-2-甲基-1H-吲哚-5-基)氧基-6-甲氧基喹啉-7-基]氧基]甲基]环丙胺。
• Assay for analytes using multiple receptors
  申请人：Lewisch Sandra A.

  公开号：US10088490B2

  公开（公告）日：2018-10-02

  A method for determining an analyte in a sample suspected of containing the analyte comprises providing in combination a medium, the sample, and two or more different receptors. Each different receptor binds to at least two different epitopic sites. One of the epitopic sites is a common binding site and one of the epitopic sites is non-common binding site. The non-common epitopic sites are different for each different receptor. The receptors exhibit mono-molecular binding. The medium is incubated under conditions for binding of the receptors to the epitopic sites. The medium is examined for the presence and/or amount of complexes comprising the epitopic sites and the receptors. The presence and/or amount of the complexes indicate the presence and/or amount of the analyte in the sample.

  一种用于确定疑似含有分析物的样品中分析物的方法，包括结合提供介质、样品和两种或两种以上不同的受体。每个不同的受体至少与两个不同的表位结合。其中一个表位是普通结合位点，另一个表位是非普通结合位点。每个不同受体的非共用表位点都不同。受体呈现单分子结合。培养基在受体与表位结合的条件下进行培养。检测培养基中是否存在由表位点和受体组成的复合物和/或复合物量。复合物的存在和/或数量表明样品中分析物的存在和/或数量。