4-(Thiophen-2-ylmethylsulfanyl)butan-1-amine | 142313-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 4-(Thiophen-2-ylmethylsulfanyl)butan-1-amine
• CAS: 142313-50-6
• 化学式: C₉H₁₅NS₂
• 分子量: 201.357
• InChiKey: SVNCBONTZASDDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(Thiophen-2-ylmethylsulfanyl)butan-1-amine 在 三乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.58h， 生成 2-(((4-isothiocyanatobutyl)sulfinyl)methyl)thiophene
  参考文献：
  名称：

  Synthesis and biological evaluation of sulforaphane derivatives as potential antitumor agents

  摘要：

  A series of sulforaphane derivatives were synthesized and evaluated in vitro for their cytotoxicity against five cancer cell lines (HepG2, A549, MCF-7, HCT-116 and SH-SY5Y). The pharmacological results showed that many of the derivatives displayed more potent cytotoxicity than sulforaphane (SFN). Furthermore, SFN and derivative 85 could induce cell cycle arrest at S or G2/M phase and cell apoptosis. SFN and 85 exhibited time- and dose-dependent activation on Nrf2 transcription factor, and 85 acted as a more potent Nrf2 inducer than SFN. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.03.045
• 作为产物：
  描述：

  2-(4-((thiophen-2-ylmethyl)thio)butyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 甲醇 为溶剂， 生成 4-(Thiophen-2-ylmethylsulfanyl)butan-1-amine
  参考文献：
  名称：

  Synthesis and biological evaluation of sulforaphane derivatives as potential antitumor agents

  摘要：

  A series of sulforaphane derivatives were synthesized and evaluated in vitro for their cytotoxicity against five cancer cell lines (HepG2, A549, MCF-7, HCT-116 and SH-SY5Y). The pharmacological results showed that many of the derivatives displayed more potent cytotoxicity than sulforaphane (SFN). Furthermore, SFN and derivative 85 could induce cell cycle arrest at S or G2/M phase and cell apoptosis. SFN and 85 exhibited time- and dose-dependent activation on Nrf2 transcription factor, and 85 acted as a more potent Nrf2 inducer than SFN. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.03.045

文献信息

• Naphthoic acid derivative
  申请人：FUJIREBIO INC.

  公开号：EP0492178A2

  公开（公告）日：1992-07-01

  A naphthoic acid derivative represented by the following general formula or a salt thereof: wherein Ri, R2 and R3 are each independently a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group, a lower alkoxy group, a lower alkanoyloxy group, a hydroxy-lower alkyl group, a lower alkoxy-lower alkyl group, a lower alkanoyloxy-lower alkyl group or an aralkyloxy group; R4 is a hydrogen atom or a lower alkyl group; R5 is a substituted or unsubstituted aryl group or a substituted or unsubstituted heteroaromatic group; X is a group a cycloalkylene group, a bivalent nitrogen-containing heterocyclic group, or a group -R8- NH- or -NH-R8, where R6 and R7 are each a hydrogen atom or a lower alkyl group and R8 is a cycloalkylene group, or R6 and R7, together with R4, may form an alkylene group of 1-3 carbon atoms; Y is -S(O)p-, -(CH2)n- or -0-; Z is a substituted or unsubstituted alkylene group or a single bond; ℓ is an integer of 0-4; m is an integer of 0-8; n is 0 or 1; p is an integer of 0-2; and g is 0 or 1. The compound is useful as an antiallergic agent.

  由以下通式代表的萘酸衍生物或其盐： 其中 Ri、R2 和 R3 各自独立地为氢原子、卤素原子、羟基、低级烷基、低级烷氧基、低级烷酰氧基、羟基-低级烷基、低级烷氧基-低级烷基、低级烷酰氧基-低级烷基或芳氧基； R4 是氢原子或低级烷基； R5 是取代或未取代的芳基或取代或未取代的杂芳基； X 是一个基团 环亚烷基、二价含氮杂环基团或基团 -R8-NH-或-NH-R8，其中 R6 和 R7 各为氢原子或低级烷基，R8 为环亚烷基，或 R6 和 R7 与 R4 可组成 1-3 个碳原子的亚烷基； Y 是-S(O)p-、-(CH2)n- 或-0-； Z 是取代或未取代的亚烷基或单键； ℓ 是 0-4 的整数； m 是 0-8 的整数 n 是 0 或 1； p 是 0-2 的整数；以及 g 为 0 或 1。 该化合物可用作抗过敏剂。
• US5324728A
  申请人：——

  公开号：US5324728A

  公开（公告）日：1994-06-28
• Synthesis and biological evaluation of sulforaphane derivatives as potential antitumor agents
  作者：Kun Hu、Yan-jie Qi、Juan Zhao、He-fei Jiang、Xin Chen、Jie Ren

  DOI：10.1016/j.ejmech.2013.03.045

  日期：2013.6

  A series of sulforaphane derivatives were synthesized and evaluated in vitro for their cytotoxicity against five cancer cell lines (HepG2, A549, MCF-7, HCT-116 and SH-SY5Y). The pharmacological results showed that many of the derivatives displayed more potent cytotoxicity than sulforaphane (SFN). Furthermore, SFN and derivative 85 could induce cell cycle arrest at S or G2/M phase and cell apoptosis. SFN and 85 exhibited time- and dose-dependent activation on Nrf2 transcription factor, and 85 acted as a more potent Nrf2 inducer than SFN. (C) 2013 Elsevier Masson SAS. All rights reserved.