6b,11b-dihydroxy-6bH-indeno[1,2-b]naphtho[2,1-d]furan-7(11bH)-one | 867381-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 6b,11b-dihydroxy-6bH-indeno[1,2-b]naphtho[2,1-d]furan-7(11bH)-one
• 英文别名: 6b,11b-Dihydroxy-6bH-indeno[1,2-b]naphtho[2,1-d]furan-7(11bH)-one；2,10-dihydroxy-11-oxapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),4,6,8,13,15,17,19-octaen-3-one
• CAS: 867381-41-7
• 化学式: C₁₉H₁₂O₄
• 分子量: 304.302
• InChiKey: PKOVHLLXMKAVIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6b,11b-dihydroxy-6bH-indeno[1,2-b]naphtho[2,1-d]furan-7(11bH)-one 在 solid supported silica sulfuric acid 作用下， 以 neat (no solvent) 为溶剂， 反应 3.0h， 以71%的产率得到Spiro[2-benzofuran-3,2'-benzo[g][1]benzofuran]-1,3'-dione
  参考文献：
  名称：

  Silica sulfuric acid: an efficient reusable heterogeneous solid support for the synthesis of 3H,3′H-spiro[benzofuran-2,1′isobenzofuran]-3,3′-diones under solvent-free condition

  摘要：

  A highly efficient protocol for the library synthesis of biologically important 3H,3'H-spiro[benzofuran-2,1'isobenzofuran]-3,3'-diones has been developed by employing silica sulfuric acid (SSA) as solid acid support under solvent-free condition. The dual characteristics of SSA, as an activating agent as well as oxidizing agent, have been well exposed in these syntheses. The intrinsic advantages of the methodology are the use of solvent-free reaction condition without using any toxic reagents or metal catalyst, operational simplicity, recyclability of the solid support, good availability of the starting materials, and excellent yields which make the method attractive, economic, and 'benign by design'. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.109
• 作为产物：
  描述：

  萘酚 、 水合茚三酮 在 溶剂黄146 作用下， 反应 0.5h， 生成 6b,11b-dihydroxy-6bH-indeno[1,2-b]naphtho[2,1-d]furan-7(11bH)-one
  参考文献：
  名称：

  6b，11b-二羟基-6b ，11-b-二氢-7 H-茚并[1,2-b]萘[2,1-d]呋喃-7-one的结构，CSD和计算研究小分子

  摘要：

  对小分子6b，11b-Dihydroxy-6b，11-b-dihydro-7 H进行的生化和药理研究-茚并[1,2-b]萘并[2,1-d]呋喃-7-one（DHFO）已显示它是止痛，抗炎药和双重5-LOX / COX-2抑制剂。DHFO还是自由基清除剂，有效的抗氧化剂和脂质过氧化抑制剂。我们使用单晶X射线晶体学，Hirshfeld表面和能量构架研究了DHFO的结构特性。此外，我们还检查了从剑桥结构数据库（CSD）中检索到的29种DHFO分子类似物的构象行为，这些类似物在柔韧性，取代作用和静电作用力方面与DHFO相似。此外，我们进行了分子对接研究，以分析DHFO与COX-1，COX-2、5-LOX和Cdc25B（人Cdc25B磷酸酶的催化​​域，它被鉴定为与标准药物（如美洛昔康）共结晶的砷还原酶蛋白。DHFO对COX-2的亲和力比COX-1好，并且可能与CdC25B-cd蛋白结合。还使用Li

  DOI：

  10.1016/j.molstruc.2021.130600

文献信息

• INDANONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS OR OPTICAL ISOMERS THEREOF, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING VIRAL DISEASES
  申请人：Jung Young Sik

  公开号：US20140114068A1

  公开（公告）日：2014-04-24

  Disclosed are novel indanone derivatives, pharmaceutically acceptable salts thereof or enantiomers, a preparation method thereof, and a pharmaceutical composition for the prevention or treatment of viral diseases, comprising the same as an active ingredient. The indanone derivatives have excellent inhibitory activity against picornaviruses including coxsackie-, entero-, echo-, Polio-, and rhinoviruses, as well as exhibiting low cytotoxicity, so that they can be useful as an active ingredient of a pharmaceutical composition for the prevention or treatment of viral diseases including poliomyelitis, paralysis, acute hemorrhagic conjunctivitis, viral meningitis, hand-foot-and-mouth disease, vesicular disease, hepatitis A, myositis, myocarditis, pancreatitis, diabetes, epidemic myalgia, encephalitis, flu, herpangina, foot-and-mouth disease, asthma, chronic obstructive pulmonary disease, pneumonia, sinusitis or otitis media.

  揭示了新颖的茚酮衍生物，其药用盐或对映体，以及其制备方法和作为活性成分的用于预防或治疗病毒性疾病的药物组合物。这些茚酮衍生物对包括柯萨奇病毒、肠道病毒、回声病毒、脊髓灰质炎病毒和鼻病毒在内的小RNA病毒具有出色的抑制活性，并且具有低细胞毒性，因此它们可用作预防或治疗包括小儿麻痹症、瘫痪、急性出血性结膜炎、病毒性脑膜炎、手足口病、水疱病、甲型肝炎、肌炎、心肌炎、胰腺炎、糖尿病、流行性肌痛、脑炎、流感、手足口病、哮喘、慢性阻塞性肺病、肺炎、鼻窦炎或中耳炎等病毒性疾病的药物组合物的活性成分。
• Computational linear rheology of general branch-on-branch polymers
  作者：Chinmay Das、Nathanael J. Inkson、Daniel J. Read、Mark A. Kelmanson、Tom C. B. McLeish

  DOI：10.1122/1.2167487

  日期：2006.3

  present a general algorithm for predicting the linear rheology of branched polymers. While the method draws heavily on existing theoretical understanding of the relaxation processes in entangled polymer melts, a number of new concepts are developed to handle diverse polymer architectures including branch-on-branch structures. We validate the algorithm with experimental examples from model polymer architectures

  我们提出了一种预测支化聚合物线性流变学的通用算法。虽然该方法很大程度上借鉴了对缠结聚合物熔体中松弛过程的现有理论理解，但开发了许多新概念来处理包括分支对分支结构在内的各种聚合物结构。我们使用来自模型聚合物架构的实验示例验证算法，以修复模型的参数。我们使用实验确定的参数来生成支化茂金属催化聚乙烯树脂的数值集合。我们算法的应用显示了系统中支链对支链的重要性，并预测了线性流变学，并在广泛的支化密度和分子量范围内具有良好的定量一致性。
• Kundu, Sandip Kumar; Das, Suven; Pramanik, Animesh, Journal of Chemical Research, 2004, # 11, p. 781 - 783
  作者：Kundu, Sandip Kumar、Das, Suven、Pramanik, Animesh

  DOI：——

  日期：——
• Efficient synthesis of 3 H ,3′ H -spiro[benzofuran-2,1′-isobenzofuran]-3,3′-dione as novel skeletons specifically for influenza virus type B inhibition
  作者：Yashwardhan Malpani、Raghavendra Achary、So Yeon Kim、Hee Chun Jeong、Pilho Kim、Soo Bong Han、Meehyein Kim、Chong-Kyo Lee、Jae Nyoung Kim、Young-Sik Jung

  DOI：10.1016/j.ejmech.2013.01.015

  日期：2013.4

  An efficient and novel two step synthetic procedure to prepare various substituted 3H,3'H-spiro[benzofuran-2,1'-isobenzofuran]-3,3'-diones A, was established from very simple and easily available starting materials. The developed method is a robust and general approach for the synthesis of these structures. The prepared compounds were tested against influenza virus type A viz., A/Taiwan/1/86 (H1N1), A/Hong Kong/8/68 (H3N2) and type B viz., B/Panama/45/90, B/Taiwan/2/62, B/Lee/40, B/Brisbane/60/2008. Among 31 compounds tested, some of them showed good activity (selective index values >10) against these influenza viruses preferentially for type B. The most active compound 3b showed activity in 3.0-16.1 mu M range with a selectivity index value between 30 and 166 against these type B viruses, in which it was comparable to the antiviral agent favipiravir. Also, 3b is found to be inactive against other enveloped viruses (viz., HIV and HSV) showing its specificity for influenza viruses. (C) 2013 Elsevier Masson SAS. All rights reserved.
• Facile synthesis of 3H,3′H-spiro[benzofuran-2,1′-isoindole]-3,3′-diones using monobromomalononitrile (MBM) as an efficient organo-brominating agent
  作者：Ashis Kundu、Sudipta Pathak、Kamalesh Debnath、Animesh Pramanik

  DOI：10.1016/j.tetlet.2014.04.027

  日期：2014.7

  An efficient methodology for the synthesis of 3H,3'H-spiro[benzofuran-2,1'-isoindole]-3,3'-diones has been developed where monobromomalononitrile (MBM) has been employed as a non-hazardous brominating agent under ambient reaction condition. The intrinsic advantages of the methodology are the utilization of simple and easily available starting materials and non-toxic reagents, operational simplicity, and good yields of the products with high atom-economy. (C) 2014 Elsevier Ltd. All rights reserved.