2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (5-aminooxy-pentyl)-(3-amino-propoxy)-amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (5-aminooxy-pentyl)-(3-amino-propoxy)-amide
• 英文别名: N-(5-aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide
• 化学式: C₂₂H₃₉N₃O₅S
• 分子量: 457.635
• InChiKey: OMWXKLKYIFJFPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-[3-(1,3-dioxoisoindol-2-yl)propoxy]-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (5-aminooxy-pentyl)-(3-amino-propoxy)-amide
  参考文献：
  名称：

  The synthesis and in vitro cytotoxic studies of novel oxa-spermidine derivatives and homologues

  摘要：

  A series of oxa-spermidine derivatives and homologues were prepared and their anticancer properties were evaluated. All these compounds showed an average GI(50) value in the range of 3.9-28.9 mu M. SAR studies showed that the presence of a sulphonamido functionality and the length of the alkyl chain are important factors for an enhanced activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00201-8

文献信息

• Methods of diagnosing and treating cancer
  申请人：Case Western Reserve University

  公开号：US10725042B2

  公开（公告）日：2020-07-28

  A method of determining the susceptibility of a cancer in a subject to treatment with an antimetabolite includes obtaining a sample of cancer cells from the subject, measuring the level of UDG expression in the cancer cells, and comparing the measured levels of UDG expression in the cancer cells to a control level.

  一种确定受试者的癌症对抗代谢物治疗易感性的方法包括：从受试者身上获取癌细胞样本，测量癌细胞中 UDG 的表达水平，并将所测量的癌细胞中 UDG 的表达水平与对照水平进行比较。
• ANTIFOLATE AGENT COMBINATIONS IN THE TREATMENT OF CANCER
  申请人：Theuer Charles P.

  公开号：US20080234298A1

  公开（公告）日：2008-09-25

  Compositions and methods useful in the treatment of certain cancers. The methods include administering, to a patient receiving an antifolate anticancer agent, methoxyamine administered in an amount sufficient to enhance or increase the effect of the antifolate anticancer agent. In part, this application is based on the recognition that certain molecules that target abasic lesions or AP sites in DNA improve, augment, or potentiate the chemotherapeutic efficacy of certain anticancer agents.
• ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER
  申请人：Gerson Stanton L.

  公开号：US20120065145A1

  公开（公告）日：2012-03-15

  This application provides compositions and methods useful in the treatment of certain cancers. In part, this application is based on the recognition that certain molecules that target abasic lesions or AP sites in DNA improve, augment, or potentiate the chemotherapeutic efficacy of certain anticancer agents.
• METHODS OF DIAGNOSING AND TREATING CANCER
  申请人：Case Western Reserve University

  公开号：US20140066464A1

  公开（公告）日：2014-03-06

  A method of determining the susceptibility of a cancer in a subject to treatment with an antimetabolite includes obtaining a sample of cancer cells from the subject, measuring the level of UDG expression in the cancer cells, and comparing the measured levels of UDG expression in the cancer cells to a control level.
• ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER
  申请人：CASE WESTERN RESERVE UNIVERSITY

  公开号：US20170071965A1

  公开（公告）日：2017-03-16

  A method treating cancer in a subject comprises administering to the subject a therapeutically effective amount of an antimetabolite agent that induces formation of AP sites in cancer cells of the subjects and an amount AP endonuclease inhibitor effective to potentiate the cytotoxicity of the antimetabolite agent to the cancer cells.