1-(2-chloroethoxy)-4,5-bis(chloromethyl)-2-methoxybenzene | 348618-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-chloroethoxy)-4,5-bis(chloromethyl)-2-methoxybenzene
• 英文别名: 1-(2-chloroethoxy)-4,5-bis(chloromethyl)-2-methoxy benzene
• CAS: 348618-21-3
• 化学式: C₁₁H₁₃Cl₃O₂
• 分子量: 283.582
• InChiKey: UESMPXZHRCEDCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-chloroethoxy)-4,5-bis(chloromethyl)-2-methoxybenzene 在 N,N-二甲基甲酰胺 甲醇 、 三甲基氯硅烷 、 氯化亚砜 、 草酰氯 、 tin(II) chloride dihdyrate 、 lithium hydroxide monohydrate 、 氨 、 水 、 sodium ethanolate 、 二异丁基氢化铝 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 苯 为溶剂， 反应 57.5h， 生成
  参考文献：
  名称：

  [EN] PYRROLO [2,1-C]1,4]NAPHTHODIAZEPINE LINKED PIPERAZINE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF
  [FR] COMPOSÉS DE PIPÉRAZINE LIÉS À LA PYRROLO [2,1-C][1,4]NAPHTHODIAZÉPINE ET PROCÉDÉ DE PRÉPARATION

  摘要：

  本发明提供了一种一般式A的化合物，可作为潜在的抗肿瘤剂用于对抗五种人类癌细胞系。本发明还提供了一种制备嘧啶并[2,1-c][1,4]萘二氮杂环己烷取代哌嗪共轭物的过程，通过一般式A的不同烷烃间隔连接。 (式I) 一般式A。其中R= R'= (式II)。n=1-9，R''= 甲基，乙基，乙酰基，苄基，哌啶酰基，4-氟苯基，4-氯苯基，4-甲氧基苯基，吡啶基，嘧啶基

  公开号：

  WO2012111020A1
• 作为产物：
  描述：

  木榴油 在 盐酸 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 26.0h， 生成 1-(2-chloroethoxy)-4,5-bis(chloromethyl)-2-methoxybenzene
  参考文献：
  名称：

  Pyrrolo[2,1-c][1,4]naphthodiazepine Linked Piperazine Compounds and a Process for the Preparation Thereof

  摘要：

  本发明提供了一种通式A的化合物，可作为潜在的抗肿瘤剂用于对抗五种人类癌细胞系。本发明还提供了一种制备通过不同的烷烃间隔连接的吡咯并[2,1-c][1,4]萘二氮杂环己烷取代哌嗪共轭物的方法，其通式为A。通式A如下：其中R=R′=(通式II)。n=1-9，R″=甲基、乙基、乙酰基、苄基、哌啶酰基、4-氟苯基、4-氯苯基、4-甲氧基苯基、吡啶基、嘧啶基。

  公开号：

  US20130317211A1

文献信息

• Tricyclic protein kinase inhibitors
  申请人：American Home Products Corporation

  公开号：US20010051620A1

  公开（公告）日：2001-12-13

  This invention provides compounds of formula 1, having the structure 1 which are useful as inhibitors of protein tyro sine kinase and are antiproliferative agents.

  这项发明提供了具有结构1的化合物，这些化合物可作为蛋白酪氨酸激酶的抑制剂，是抗增殖剂。
• [EN] TRICYCLIC PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS TRICYCLIQUES DE PROTEINE KINASE
  申请人：AMERICAN HOME PROD

  公开号：WO2001047892A1

  公开（公告）日：2001-07-05

  This invention provides compounds of formula (1) which are useful as inhibitors of protein tyrosine kinase and are antiproliferative agents.

  本发明提供了一种式子为(1)的化合物，它们可用作蛋白酪氨酸激酶的抑制剂并具有抗增殖作用。
• Pyrrolo[2,1-c][1,4]naphthodiazepine linked piperazine compounds and a process for the preparation thereof
  申请人：Kamal Ahmed

  公开号：US08759339B2

  公开（公告）日：2014-06-24

  The present invention provides a compound of general formula A, useful as potential antitumour agents against five human cancer cell lines. The present invention further provides a process for the preparation of pyrrolo[2,1-c][1,4]naphthodiazepine linked substituted piperazine conjugates attached through different alkane spacers of general formula A. (Formula I) General formula A. Where R=R′=(Formula II). n=1-9 and R″=methyl, ethyl, acetyl, benzyl, piperinoyl, 4-fluorophenyl, 4-chlorophenyl, 4-methoxyphenyl, pyridyl, pyrimidyl.

  本发明提供了一种通式A的化合物，可作为潜在的抗肿瘤剂，用于对抗五种人类癌细胞系。本发明还提供了一种通过不同的烷基间隔连接的吡咯并[2,1-c][1,4]萘二氮杂环与取代的哌嗪共轭物的制备方法，其通式为A（式I）。通式A如下：其中R=R′=(式II)。n=1-9，R″=甲基、乙基、乙酰、苄基、哌嗪酰、4-氟苯基、4-氯苯基、4-甲氧基苯基、吡啶基、嘧啶基。
• 4-Anilino-7,8-dialkoxybenzo[<i>g</i>]quinoline-3-carbonitriles as Potent Src Kinase Inhibitors
  作者：Dan M. Berger、Minu Dutia、Gary Birnberg、Dennis Powell、Diane H. Boschelli、Yanong D. Wang、Malini Ravi、Deanna Yaczko、Jennifer Golas、Judy Lucas、Frank Boschelli

  DOI：10.1021/jm050512u

  日期：2005.9.1

  It has been previously reported that appropriately substituted 4-anilinoquinoline-3-carbonitriles are potent inhibitors of Src kinase, with biological activity in vitro and in vivo. Structural modifications to these compounds have been explored, providing the 4-anilinobenzo[g] quinoline-3-carbonitriles as a series with enhanced Src inhibitory properties. The synthesis and structure-activity relationships of these 4-anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitriles are presented here. Analogues with cyclic basic amine groups attached via ethoxy linkages at the C-8 position were the most active in vitro, with subnanomolar IC50 values against Src kinase observed for a majority of the compounds synthesized. Compound 17d was more potent in vitro than the analogously substituted 4-anilinoquinoline-3-carbonitrile SKI-606, which is undergoing evaluation in clinical trials. The most potent analogue synthesized was 17a, with an IC50 of 0.15 nM against Src kinase and with an IC50 of 10 nM against Src-transformed fibroblasts. Molecular modeling studies provided a rationale for the exceptional activity observed for these compounds, with favorable van der Waals interactions playing the major role. Compound 17c was found to be highly selective for Src kinase when tested against a panel of other kinases, with modest selectivity versus the Src family kinases Lyn and Fyn. Following ip dosing at 50 mg/kg, analogues 17c and 17d were shown to have plasma levels that significantly exceeded the cellular IC50 values against Src-transformed fibroblasts. In an Src-transformed fibroblast xenograft model, both compounds exhibited a significant inhibition of tumor growth.
• TRICYCLIC PROTEIN KINASE INHIBITORS
  申请人：Wyeth

  公开号：EP1242382A1

  公开（公告）日：2002-09-25