4-aza-dibenzo-18-crown-6-ether | 36080-60-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-aza-dibenzo-18-crown-6-ether
• 英文别名: 5,6,14,15-Dibenzo-4,7,10,13,16-pentaoxa-1-azacycloocta-5,14-dien；4-aza dibenzo 18-crown-6；6,7,9,10,18,19,20,21-octahydro-17H-5,8,11,16,22-pentaoxa-19-aza-dibenzo[a,j]cyclooctadecene；Octahydro-17H-5,8,11,16,22-pentaoxa-19-aza-dibenzo(A,J)cyclooctadecene；2,5,8,15,21-pentaoxa-18-azatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
• CAS: 36080-60-1
• 化学式: C₂₀H₂₅NO₅
• 分子量: 359.422
• InChiKey: URMANSYGANHEJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-aza-dibenzo-18-crown-6-ether 、 聚合甲醛 、 1,2-二羟基蒽醌 以 四氢呋喃 为溶剂， 反应 168.0h， 以68%的产率得到N-(alizarin-4-methylene)-4-aza-dibenzo-18-crown-6 ether
  参考文献：
  名称：

  Liquid membrane transportation of fluoride ions with alizarin based azacrown ether Zr-complex

  摘要：

  A new alizarin based azacrown ether N-(alizarin-4-methylene)-4-azadibenzo-18-crown-6 (AMADCE) was synthesized, for the transportation of fluoride ions, by reacting 4-aza dibenzo 18-crown-6 with alizarin in the presence of formaldehyde. The compound forms a stable purple-red coloured complex with Zr(IV) in 0.5-1.0 M hydrochloric acid and gets quantitatively extracted into diphenyl ether. This diphenyl ether extract of the Zr(IV) complex instantaneously transfers fluoride ions from the aqueous phase, which was utilised for the sensitive determination and transportation of fluoride ions through the liquid membrane. The conditions like concentration of membrane phase, acidity of the source phase and the receiving phase, and the transportation time were optimized. The continuous transportation of fluoride ions was achieved by adding receptor ions like La3+ and Ca2+ in the receiving phase. The rate constant K and t(1/2) for the transportation were determined. The studies were extended for the removal of fluoride ions through the liquid membrane from the ground water samples and industrial effluent. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2006.07.005
• 作为产物：
  描述：

  N-tosyl 4-aza dibenzo 18-crown-6 在 硫酸 作用下， 以 水 为溶剂， 反应 0.5h， 以57%的产率得到4-aza-dibenzo-18-crown-6-ether
  参考文献：
  名称：

  Molecular recognition of aromatic amines by coumarin substituted azacrown ether

  摘要：

  通过4-氮杂二苯并-18-冠-6醚、4-氮杂二苯并-18-冠-6醚的缩合反应合成了新型显色氮杂冠醚N[7-羟基-4-甲基-香豆素-8-亚甲基]-4-氮杂二苯并-18-冠醚(HMCMADCE)使用甲基,7-羟基香豆素和甲醛研究其对芳香胺的行为。 所有芳香伯胺在水性介质中都会呈现特定的颜色。 官能团识别行为进一步扩展到研究商业药物样品中芳香伯胺的估计。 胺可以在几个官能团存在的情况下进行估计，例如酚-OH、仲和叔芳香胺以及脂肪胺。

  DOI：

  10.3906/kim-0903-20

文献信息

• [EN] NOVEL CYTOTOXIC AGENTS AND CONJUGATES THEREOF<br/>[FR] NOUVEAUX AGENTS CYTOTOXIQUES ET LEURS CONJUGUÉS
  申请人：POLYTHERICS LTD

  公开号：WO2018051109A1

  公开（公告）日：2018-03-22

  Provided herein are novel maytansinoid compounds of general formula I. Also provided herein are conjugates comprising the compounds linked to a binding protein via a linker, and conjugating reagents comprising the compounds attached via a linker to at least one functional group capable of reacting with a binding protein. Also provided herein are pharmaceutical compositions comprising the compounds and conjugates, therapeutic methods and uses involving the compounds and conjugates, for example in cancer therapy, and novel synthetic processes.

  本文提供了一般式I的新型马丹西酮类化合物。本文还提供了将这些化合物通过连接剂连接到结合蛋白上的共轭物，以及将这些化合物通过连接剂连接到至少一个能与结合蛋白发生反应的功能基团的共轭试剂。本文还提供了包含这些化合物和共轭物的药物组合物，涉及这些化合物和共轭物的治疗方法和用途，例如在癌症治疗中，并提供了新的合成过程。
• Cytotoxic agents and conjugates thereof
  申请人：POLYTHERICS LIMITED

  公开号：US10654873B2

  公开（公告）日：2020-05-19

  Provided herein are novel maytansinoid compounds of general formula I. Also provided herein are conjugates comprising the compounds linked to a binding protein via a linker, and conjugating reagents comprising the compounds attached via a linker to at least one functional group capable of reacting with a binding protein. Also provided herein are pharmaceutical compositions comprising the compounds and conjugates, therapeutic methods and uses involving the compounds and conjugates, for example in cancer therapy, and novel synthetic processes.

  本文提供了通式 I 的新型 maytansinoid 化合物。本文还提供了包含通过连接体与结合蛋白连接的化合物的共轭物，以及包含通过连接体与至少一个能与结合蛋白反应的官能团连接的化合物的共轭试剂。本文还提供了包含化合物和共轭物的药物组合物、涉及化合物和共轭物的治疗方法和用途（例如在癌症治疗中）以及新型合成工艺。
• Benzocrown amino ethers
  作者：Sverker A. G. Hogberg、Donald J. Cram

  DOI：10.1021/jo00889a051

  日期：1975.1
• HOEGBERG S. A. G.; CRAM D. J., J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 1, 151-152
  作者：HOEGBERG S. A. G.、 CRAM D. J.

  DOI：——

  日期：——
• NOVEL CYTOTOXIC AGENTS AND CONJUGATES THEREOF
  申请人：Polytherics Limited

  公开号：EP3512856B1

  公开（公告）日：2021-03-24