3H,6H-噻吩并[3,4-c]异噻唑,3a,4-二氢-6-(1-甲基乙基)-,反-(9CI) | 128129-56-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 中文名称: 3H,6H-噻吩并[3,4-c]异噻唑,3a,4-二氢-6-(1-甲基乙基)-,反-(9CI)
• 英文名称: phlorofucofuroeckol A
• 英文别名: PFF-A；phlorofurofukoeckol A；phlorofucofuroeckol；4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol
• CAS: 128129-56-6
• 化学式: C₃₀H₁₈O₁₄
• 分子量: 602.465
• InChiKey: SLWPBUMYPRVYIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  810.9±65.0 °C(Predicted)
• 密度：
  1.846±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  232
• 氢给体数：
  9
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  3H,6H-噻吩并[3,4-c]异噻唑,3a,4-二氢-6-(1-甲基乙基)-,反-(9CI) 、 硫酸二甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 16.0h， 以44%的产率得到4,14-O,O-dimethylphlorofucofuroeckol-A
  参考文献：
  名称：

  ECKOL DERIVATIVES, METHODS OF SYNTHESIS AND USES THEREOF

  摘要：

  本文提供了eckol衍生物、其合成方法和药物组成物。在其他实施例中，提供了使用本文中披露的化合物和药物组成物治疗、预防或缓解多种医学疾病的方法，例如阿尔茨海默病、微生物感染、肥胖症、糖尿病、癌症或炎症。

  公开号：

  US20180127392A1

文献信息

• [EN] PRODRUGS OF HYDROXYL-COMPRISING DRUGS<br/>[FR] PROMÉDICAMENTS DE MÉDICAMENTS COMPRENANT DES GROUPES HYDROXYLE
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013160340A1

  公开（公告）日：2013-10-31

  The present invention relates to a prodrug or a pharmaceutically acceptable salt thereof comprising a biologically active moiety-linker conjugate D-L, wherein D is a hydroxyl-comprising biologically active moiety; and L is a promoiety comprising a moiety L1 represented by formula (I) and wherein L1 is substituted with one to four groups L2-Z and optionally further substituted, provided that the hydrogen marked with the asterisk in formula (I) is not replaced by a substituent; wherein L2 is a single chemical bond or a spacer and Z is a carrier group. The invention also relates to pharmaceutical compositions comprising said prodrugs and their use as medicaments.

  本发明涉及一种前药或其药学上可接受的盐，包括生物活性基团-连接物D-L的共轭物，其中D是含有羟基的生物活性基团；L是包含由式(I)表示的基团L1的前基团，其中L1被一个到四个基团L2-Z取代，并且可选择进一步取代，前提是式(I)中带星号标记的氢未被取代；其中L2是一个化学键或一个间隔物，Z是一个载体基团。该发明还涉及包含所述前药的药物组合物及其作为药物的用途。
• Regioselective syntheses and analyses of <scp>phlorofucofuroeckol‐A</scp> derivatives
  作者：Yongkyun Kim、Jooseok Shin、Hyeon‐cheol Shin、Kwangyong Park

  DOI：10.1002/bkcs.12414

  日期：2021.12

  di-O-substituted PFF-A derivatives were synthesized by introducing alkyl or acyl groups at two specific hydroxyls out of the nine nearly equivalent phenolic OH groups present in PFF-A. The exact molecular structures of the synthesized derivatives were analyzed using two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy, which confirmed that the substituents were regioselectively introduced at the

  Phlorofucofuroeckol-A (PFF-A) 是一种从各种褐藻中提取的根皮单宁。PFF-A 在摄入时表现出低毒性和各种生化作用，包括抗氧化、抗炎、抗癌和抗过敏特性。在这项研究中，通过在 PFF-A 中存在的九个几乎等价的酚类 OH 基团中的两个特定羟基上引入烷基或酰基基团，合成了各种双氧取代的 PFF-A 衍生物。使用二维核磁共振 (2D NMR) 光谱分析了合成衍生物的确切分子结构，这证实了在 1  OH 和 6  OH 位置区域选择性地引入了取代基。少量三单-Oβ-取代衍生物作为该反应的副产物产生，它们的结构和区域选择性使用 2D NMR 光谱确定。这项研究可以为了解基于 eckol 的化合物的作用机制和开发新的候选药物提供见解。
• Anti-plasmin inhibitor. VI. Structure of phlorofucofuroeckol A, a novel phlorotannin with both dibenzo-1,4-dioxin and dibenzofuran elements, from Ecklonia kurome Okamura.
  作者：Yoshiyasu FUKUYAMA、Mitsuaki KODAMA、Iwao MIURA、Ziunei KINZYO、Hideo MORI、Yasuo NAKAYAMA、Masayuki TAKAHASHI

  DOI：10.1248/cpb.38.133

  日期：——

  Phlorofucofuroeckol A (1), a novel phlorotannin with both dibenzo-1, 4-dioxin and dibenzofuran elements, has been isolated from the brown alga Ecklonia kurome OKAMURA as a potent anti-plasmin inhibitor. Its structure has been elucidated to be 1, 11-di(3, 5-dihydroxyphenoxy)-benzofuro[3, 2-a]dibenzo[b, e][1, 4]dioxin-2, 4, 8, 10, 14-pentaol on the basis of the spectral data, in particular, by means of negative nuclear Overhauser effect (NOE) and long-range carbon-proton couplings (2J and 3J). Phlorofucofuroeckol A inhibited the action of α2-macroglobulin (IC<50>=1.0μg/ml) and α2-plasmin inhibitor (IC<50>=0.3μg/ml), the main plasmin inhibitors in plasma.

  从褐藻Ecklonia kurome OKAMURA中分离出一种新型的含有二苯并-1,4-二恶英和二苯并呋喃成分的鞣花单宁，命名为Phlorofucofuroeckol A (1)，是一种强效抗纤溶酶抑制剂。根据光谱数据，特别是通过负核Overhauser效应（NOE）和长程碳-质子偶联（2J和3J），其结构被阐明为1,11-二（3,5-二羟基苯氧基）-苯并呋喃[3,2-a]二苯并[b,e][1,4]二恶英-2,4,8,10,14-五醇。Phlorofucofuroeckol A抑制α2-巨球蛋白（IC<50>=1.0μg/ml）和α2-纤溶酶抑制剂（IC<50>=0.3μg/ml）的作用，它们是血浆中的主要纤溶酶抑制剂。
• Raman, infrared, or Raman-Infrared analysis of peripheral blood plasma protein structure and its relation to cognitive development in Alzheimer's disease
  申请人：Consejo Superior De Investigaciones Científicas (CSIC)

  公开号：EP2700933A1

  公开（公告）日：2014-02-26

  The present invention relates to a Raman spectroscopy method for determining protein structure associated with global cognitive deterioration in Alzheimer's disease from the Raman spectroscopic analysis of a human blood sample, preferably of a human blood plasma sample, comprising obtaining at least one spectral value of at least one of the Raman spectrum regions comprised between 1600-1700 cm-1, between 910-980 cm-1, between 730-760 cm-1 and/or between 390-450 cm-1, and where said spectral value allows obtaining an indication of the presence or absence of protein structure associated with a condition of Alzheimer's disease. The present invention also relates to a method for the infrared spectroscopic analysis of a blood sample, by means of additionally obtaining at least one spectral value of at least one of the infrared spectrum regions comprised between 1600 and 1700 cm-1 and/or between 1000 and 1150 cm-1. Optionally, the Raman spectroscopy method further comprises the infrared spectroscopic analysis of the same blood sample. The invention also relates to a diagnostic method for diagnosing Alzheimer's disease comprising measuring a Raman spectrum and/or an infrared spectrum of a plasma sample.

  本发明涉及一种拉曼光谱方法，用于通过对人体血液样本，最好是人体血浆样本进行拉曼光谱分析，确定与阿尔茨海默氏症整体认知退化相关的蛋白质结构、包括获得至少一个拉曼光谱区域的光谱值，该光谱区域包括 1600-1700 cm-1、910-980 cm-1、730-760 cm-1 和/或 390-450 cm-1，其中所述光谱值可获得与阿尔茨海默氏症状况相关的蛋白质结构存在与否的指示。本发明还涉及一种对血液样本进行红外光谱分析的方法，其方法是额外获得至少一个红外光谱区域的光谱值，该光谱区域包括 1600 至 1700 cm-1 之间和/或 1000 至 1150 cm-1 之间。可选地，拉曼光谱方法还包括对同一血液样本进行红外光谱分析。本发明还涉及一种诊断阿尔茨海默病的方法，包括测量血浆样本的拉曼光谱和/或红外光谱。
• METHOD FOR DIAGNOSING ALZHEIMER´S DISEASE
  申请人：Raman Health Technologies, S.L

  公开号：EP3249388A1

  公开（公告）日：2017-11-29

  A vibrational spectroscopy method for diagnosing Alzheimer's disease in a subject is disclosed, said method comprising the steps of a) determining in a Raman spectrum of a biofluid retrieved from said subject or in a sample derived from said biofluid the intensity of a Raman band around 1256 cm-1; and b) comparing the intensity value obtained in step a) with a reference value, wherein an increase in the value of said Raman band intensity with respect to the reference value is indicative that the subject suffers Alzheimer's disease. Also disclosed are an apparatus for plasma sample analysis, a computer program, and a data carrier.

  本发明公开了一种用于诊断受试者阿尔茨海默病的振动光谱学方法，所述方法包括以下步骤：a) 在从所述受试者身上提取的生物流体的拉曼光谱中或在从所述生物流体提取的样品中确定 1256 cm-1 附近的拉曼带的强度；以及 b) 将步骤 a) 中获得的强度值与参考值进行比较，其中所述拉曼带强度值相对于参考值的增加表明受试者患有阿尔茨海默病。还公开了一种用于血浆样本分析的仪器、计算机程序和数据载体。