5-(呋喃-2-基)-2-甲氧基苯甲醛 | 190271-68-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-(呋喃-2-基)-2-甲氧基苯甲醛
• 英文名称: 5-(furan-2-yl)-2-methoxybenzaldehyde
• CAS: 190271-68-2
• 化学式: C₁₂H₁₀O₃
• 分子量: 202.21
• InChiKey: XZQUAHSHKYIKSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(呋喃-2-基)-2-甲氧基苯甲醛 生成 (5-(furan-2-yl)-2-methoxyphenyl)(phenyl)methanol
  参考文献：
  名称：

  WO2008/38955

  摘要：

  公开号：
• 作为产物：
  描述：

  邻甲氧基苯甲醛 在 三氟乙酸酐 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 反应 18.0h， 生成 5-(呋喃-2-基)-2-甲氧基苯甲醛
  参考文献：
  名称：

  芳基锍盐的光化学（杂）芳基化

  摘要：

  （杂）联芳基化合物是医药物质、功能材料和农用化学品中无处不在的支架，其构建构成了交叉偶联方法的关键应用。然而，这些通常需要多个合成步骤。在此，我们报告了一种简单的光诱导和无催化剂的 C–H/C–H（杂）芳基化交叉偶联，通过芳基铪盐进行，通过直接 C–H 功能化选择性地形成位点。这种方法的关键是紫外线，它可以破坏 C-S 键，形成噻蒽自由基阳离子和芳基自由基。

  DOI：

  10.1021/acs.orglett.1c01904

文献信息

• BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE
  申请人：Choi Nam-Song

  公开号：US20090275575A1

  公开（公告）日：2009-11-05

  Disclosed herein are novel benzophenone derivatives represented by formula I, a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof, a pharmacological composition containing the same, and a use of the composition as therapeutic drugs. The benzophenone derivatives have an inhibition activity of microtubule formation and can be used to treat a normal proliferative state of a malignant tumor by killing the actively proliferating cells.

  本文披露了一种由式I表示的新型苯甲酮衍生物，其药学上可接受的盐，其水合物或溶剂合物，含有相同化合物的药理学组合物，以及将该组合物用作治疗药物。苯甲酮衍生物具有微管形成抑制活性，可用于通过杀死活跃增殖细胞来治疗恶性肿瘤的正常增殖状态。
• [EN] CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RECEPTEURS DE LA CYCLOPENTYLE-TACHYKININE
  申请人：MERCK & CO., INC.

  公开号：WO1997014671A1

  公开（公告）日：1997-04-24

  (EN) The present invention is directed to certain novel compounds represented by structural formula (I) or a pharmaceutically acceptable salt thereof, wherein R3, R6, R7, R8, R11, R12, R13, A, Q, W, X, Y, Z and n are defined herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulation in the treatment of certain disorders. The compounds of this invention are tachykinin receptor antagonists and are useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis.(FR) L'invention concerne de nouveaux composés représentés par la formule développée (I) ou leurs sels pharmaceutiquement acceptables. Dans ladite formule, R3, R6, R7, R8, R11, R12, R13, A, Q, W, X, Y, Z et n correspondent à la définition donnée dans la description. L'invention concerne également des formulations pharmaceutiques comportant comme ingrédients actifs ces composés, ainsi que l'utilisation de ces composés et de leurs formulations dans le traitement de certains troubles. Les composés selon l'invention sont des antagonistes des récepteurs des tachykinines et sont utiles dans le traitement des maladies inflammatoires, des douleurs et des migraines, de l'asthme et des vomissements.

  该发明涉及一些新的化合物，其结构式为(I)或其药学上可接受的盐，其中R3、R6、R7、R8、R11、R12、R13、A、Q、W、X、Y、Z和n在此定义。该发明还涉及包含这些新化合物作为活性成分的药物制剂以及在治疗某些疾病中使用这些新化合物和它们的制剂。该发明的化合物是缩短肽受体拮抗剂，可用于治疗炎症性疾病、疼痛或偏头痛、哮喘和恶心。
• Cycloalkyl tachykinin receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US05750549A1

  公开（公告）日：1998-05-12

  The present invention is directed to certain novel compounds represented by structural formula I: ##STR1## or a pharmaceutically acceptable salt thereof, wherein R.sup.3, R.sup.6, R.sup.7, R.sup.8, R.sup.11, R.sup.12, R.sup.13, A, Q, W, X, Y, Z and n are defined herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are tachykinin receptor antagonists and are useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis.

  本发明涉及某些新颖化合物，其由结构式I表示：##STR1##或其药学上可接受的盐，其中R.sup.3，R.sup.6，R.sup.7，R.sup.8，R.sup.11，R.sup.12，R.sup.13，A，Q，W，X，Y，Z和n在此定义。本发明还涉及包含这些新颖化合物作为活性成分的制药配方，以及使用这些新颖化合物及其配方治疗某些疾病。本发明的化合物是快速激肽受体拮抗剂，可用于治疗炎症性疾病、疼痛或偏头痛、哮喘和呕吐。
• Identification of CKD-516: A Potent Tubulin Polymerization Inhibitor with Marked Antitumor Activity against Murine and Human Solid Tumors
  作者：Jaekwang Lee、Soo Jin Kim、Hojin Choi、Young Hoon Kim、In Taek Lim、Hyun-mo Yang、Chang Sik Lee、Hee Ryong Kang、Soon Kil Ahn、Seung Kee Moon、Dal-Hyun Kim、Sungsook Lee、Nam Song Choi、Kyung Joo Lee

  DOI：10.1021/jm1002414

  日期：2010.9.9

  Tubulin polymerization inhibitors had emerged as one of promising anticancer therapeutics because of their dual mechanism of action, i.e. apoptosis by cell-cycle arrest and VDA, vascular disrupting agent. VDAs are believed to be more efficient, less toxic, and several of them are currently undergoing clinical trials. To identify novel tubulin inhibitors that possess potent cytotoxicity and strong inhibition of tubulin polymerization as well as potent in vivo antitumor efficacy, we have utilized benzophenone scaffold. Complete SA R analysis of newly synthesized analogues that were prepared by incorporation of small heterocycles (C2, C4, and C5 position) into B-ring along with the evaluation of their in vitro cytotoxicity, tubulin polymerization inhibition, and in vivo antitumor activity allowed us to identify 22 (S516). Compound 22 was found to have potent cytotoxicity against several cancer cells including P-gp overexpressing MDR positive cell line (HCT15). It also induced cell cycle arrest at G(2)/M phase, which is associated with strong inhibition of tubulin polymerization. Its in vivo efficacy was improved by preparing its (L)-valine prodrug, 65 (CKD-516), which together with greatly improved aqueous solubility has shown marked antitumor efficacy against both murine tumors (CT26 and 3LL) and human xenogratfs (HCT116 and HCT15) in mice.
• Ward; Armour; Bays, Journal of Medicinal Chemistry, 1995, vol. 38, # 26, p. 4985 - 4992
  作者：Ward、Armour、Bays、Evans、Giblin、Heron、Hubbard、Liang、Middlemiss、Mordaunt、Naylor、Pegg、Vinader、Watson、Bountra、Evans

  DOI：——

  日期：——