2-(2-iodoethoxy)ethyl acetate | 290344-86-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(2-iodoethoxy)ethyl acetate
• 英文别名: Acetic acid, 2-(2-iodoethoxy)ethyl ester
• CAS: 290344-86-4
• 化学式: C₆H₁₁IO₃
• 分子量: 258.056
• InChiKey: PHFOMWJLSDYBSL-UHFFFAOYSA-N

物化性质

• 沸点：
  254.2±20.0 °C(Predicted)
• 密度：
  1.651±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-iodoethoxy)ethyl acetate 在 sodium hydroxide 、 caesium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-{1-[2-(2-acetoxy-ethoxy)-ethyl]-1H-indol-3-yl}-3-(1H-indol-3-yl)-3-methylcarbamoyl-acrylic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of novel bisindolylmaleimides that inhibit vascular endothelial cell proliferation

  摘要：

  A novel class of bisindolylmaleimides were synthesized and antiproliferative activities (HUVECs and three tumor cell lines) of these compounds were investigated. Two water-soluble derivatives, 10 and 12, possessing a dimethylaminoalkoxy side chain in their structure, showed interesting activity and selectivity on HUVECs proliferation, (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00535-2
• 作为产物：
  描述：

  2-(2-氯乙氧基)乙酸乙酯 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 32.0h， 以65%的产率得到2-(2-iodoethoxy)ethyl acetate
  参考文献：
  名称：

  含有（膦酰基甲基）膦酰基部分的无环核苷二磷酸类似物的合成及其磷酸化研究

  摘要：

  嘌呤和嘧啶的无环核苷二膦酸酯衍生物通过适当保护的杂环碱与含有（膦酰基甲基）膦酰基部分的醇的光信反应制备。此外，dUDP 的不可水解的无环类似物被制备为 dUTPase 的潜在抑制剂。然而，它们磷酸化为 dUTP 类似物，产生线性和支化磷酸盐的混合物。磷酸化反应的过程由 31 P NMR 光谱跟踪，我们发现膦酸酯和次膦酸酯部分都与 1,1'-羰基二咪唑和三正丁基磷酸铵反应。（膦酰基甲基）膦酰基体系的 pKa 值也通过 31P NMR 光谱测定（© Wiley-VCH Verlag GmbH & Co. KGaA，69451 Weinheim，德国，2009）

  DOI：

  10.1002/ejoc.200800911

文献信息

• [EN] TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES<br/>[FR] COMPOSÉS DE BENZIMIDAZOLIUM TÉTRA ET PENTASUBSTITUÉS, UTILES DANS LE TRAITEMENT DE MALADIES RESPIRATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2016113169A1

  公开（公告）日：2016-07-21

  The present invention relates to compounds of formula (I), or the tautomers or pharmacologically acceptable acid addition salts thereof, wherein R1, R2, R3, R4, X, and Z have one of the meanings as defined in the specification, to the use of compounds of formula (I) as a medicament, to pharmaceutical composition comprising at least one com¬ pound of formula (I), as well as to medicament combinations containing one or more compounds of formula (I).

  本发明涉及公式（I）的化合物，或其互变异构体或药理学上可接受的酸盐，其中R1、R2、R3、R4、X和Z具有规范中定义的含义之一，以及将公式（I）的化合物用作药物，包含至少一种公式（I）化合物的药物组合物，以及含有一种或多种公式（I）化合物的药物组合物。
• Pyrazolo[3,4-<i>c</i>]pyridazines as Novel and Selective Inhibitors of Cyclin-Dependent Kinases
  作者：Miguel F. Braña、Mónica Cacho、M. Luisa García、Elena P. Mayoral、Berta López、Beatriz de Pascual-Teresa、Ana Ramos、Nuria Acero、Francisco Llinares、Dolores Muñoz-Mingarro、Olivier Lozach、Laurent Meijer

  DOI：10.1021/jm058013g

  日期：2005.11.1

  Pyrazolopyridazine 1a was identified in a high-throughput screening carried out by BASF Bioresearch Corp. (Worcester, MA) as a potent inhibitor of CDK1/cyclin B and shown to have selectivity for the CDK family. Analogues of the lead compound have been synthesized and their antitumor activities have been tested. A molecular model of the complex between the lead compound and the CDK2 ATP binding site

  在由BASF Bioresearch Corp.（马萨诸塞州伍斯特）进行的高通量筛选中鉴定出吡唑并哒嗪1a为有效的CDK1 / cyclin B抑制剂，并显示出对CDK家族具有选择性。已合成了铅化合物的类似物，并测试了其抗肿瘤活性。使用构象搜索和自动对接技术的组合，已建立了先导化合物和CDK2 ATP结合位点之间的复合物的分子模型。所得复合物的稳定性已通过分子动力学模拟进行了评估，并且在拟议的化合物1a结合方式的基础上，对合成的类似物所获得的实验结果进行了合理化处理。SAR研究的结果，
• Synthesis and biological evaluation of novel indolocarbazoles with anti-angiogenic activity
  作者：Nuria Acero、Miguel F. Braña、Loreto Añorbe、Gema Domínguez、Dolores Muñoz-Mingarro、Francesc Mitjans、Jaume Piulats

  DOI：10.1016/j.ejmech.2011.11.040

  日期：2012.2

  A novel series of indolocarbazoles were synthesized and their antiproliferative activity against HUVEC, LoVo, DLD-1 and ST-486 cell lines, was investigated. Those staurosporine analogs in which a substituted dimethylaminoalkoxy chain was attached to the indolic nitrogen showed interesting activity and selectivity with respect to HUVEC proliferation. The effect on capillary tube formation in 3-dimensional matrigel matrix was studied using the most active compounds. Evaluation of their in vivo anti-angiogenic activity in a murine Lewis lung cancer model was also analyzed. (C) 2011 Elsevier Masson SAS. All rights reserved.
• TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20180002312A1

  公开（公告）日：2018-01-04

  The present invention relates to compounds of formula (I), or the tautomers or pharmacologically acceptable acid addition salts thereof, wherein R 1 , R 2 , R 3 , R 4 , X, and Z have one of the meanings as defined in the specification, to the use of compounds of formula (I) as a medicament, to pharmaceutical composition comprising at least one compound of formula (I), as well as to medicament combinations containing one or more compounds of formula (I).