N-(2,3-二氢-2-硫氧代-6-苯并噻唑)-乙酰胺 | 7340-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: N-(2,3-二氢-2-硫氧代-6-苯并噻唑)-乙酰胺
• 英文名称: 6-acetylamino-3H-benzothiazole-2-thione
• 英文别名: N-(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-yl)acetamide；N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)acetamide
• CAS: 7340-70-7
• 化学式: C₉H₈N₂OS₂
• 分子量: 224.307
• InChiKey: IIVNZXCXHJAXHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  98.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2,3-二氢-2-硫氧代-6-苯并噻唑)-乙酰胺 在 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 三氯乙烯 、 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and fluorescence characteristics of novel asymmetric cyanine dyes for DNA detection

  摘要：

  Sixteen new asymmetric monomethine cyanine dyes have been synthesized and their spectral characteristics and interaction with double stranded DNA have been investigated. The dyes absorb in the region 453-519 nm and have molar absorptivities in the range 37.900-93.100IM(-1) cm(-1). The dyes do not have intrinsic fluorescence, but in the presence of dsDNA they exhibited a significant enhancement in fluorescence. The most pronounced increase was found for D9, D10, D12 and D16 allowing the recommendation of these dyes as the most sensitive DNA markers. Thermodynamic analysis of cyanine-DNA complexation was carried out using the McGhee & von Hippel non-cooperative excluded site model, and binding parameters have been derived. A hypothesis describing the DNA-dye binding mode has been proposed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.10.002
• 作为产物：
  描述：

  6-氨基-2-巯基苯并噻唑 、 乙酸酐 在 硫酸 作用下， 反应 0.5h， 以89%的产率得到N-(2,3-二氢-2-硫氧代-6-苯并噻唑)-乙酰胺
  参考文献：
  名称：

  Synthesis and fluorescence characteristics of novel asymmetric cyanine dyes for DNA detection

  摘要：

  Sixteen new asymmetric monomethine cyanine dyes have been synthesized and their spectral characteristics and interaction with double stranded DNA have been investigated. The dyes absorb in the region 453-519 nm and have molar absorptivities in the range 37.900-93.100IM(-1) cm(-1). The dyes do not have intrinsic fluorescence, but in the presence of dsDNA they exhibited a significant enhancement in fluorescence. The most pronounced increase was found for D9, D10, D12 and D16 allowing the recommendation of these dyes as the most sensitive DNA markers. Thermodynamic analysis of cyanine-DNA complexation was carried out using the McGhee & von Hippel non-cooperative excluded site model, and binding parameters have been derived. A hypothesis describing the DNA-dye binding mode has been proposed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.10.002

文献信息

• Heterocyclic modulators of nuclear receptors
  申请人：——

  公开号：US20030212111A1

  公开（公告）日：2003-11-13

  Compounds, compositions and methods for modulating the activity of nuclear receptors are provided. In particular, heterocyclic compounds are provided for modulating the activity of farnesoid X receptor (FXR), liver X receptor (LXR) and/or orphan nuclear receptors. In certain embodiments, the compounds are thiazolidinone derivatives.

  提供了用于调节核受体活性的化合物、组合物和方法。具体来说，提供了用于调节法尼索醇X受体（FXR）、肝X受体（LXR）和/或孤儿核受体活性的杂环化合物。在某些实施例中，这些化合物是噻唑啉酮衍生物。
• Synthesis and properties of derivatives of 2-mercaptobenzothiazole
  作者：E. A. Kuznetsova、S. V. Zhuravlev、T. N. Stepanova

  DOI：10.1007/bf00470259

  日期：——
• Synthesis in the 2-mercaptobenzothiazole series
  作者：E. A. Kuznetsova、S. V. Zhuravlev、T. N. Stepanova

  DOI：10.1007/bf00601116

  日期：——
• HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS
  申请人：X-Ceptor Therapeutics, Inc.

  公开号：EP1465882A2

  公开（公告）日：2004-10-13
• EP1465882A4
  申请人：——

  公开号：EP1465882A4

  公开（公告）日：2005-04-06