Acridin-semichinon-N-Radikal | 22136-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Acridin-semichinon-N-Radikal
• 英文别名: Acridin-N-semichinon
• CAS: 22136-66-9
• 化学式: C₁₃H₁₀N
• 分子量: 180.229
• InChiKey: WCYVZVOFBHHFPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  吖啶 在 2,4,6-三甲酚 作用下， 以 甲苯 为溶剂， 生成 Acridin-semichinon-N-Radikal
  参考文献：
  名称：

  Transfer of a hydrogen atom to acridine in the triplet state

  摘要：

  DOI：

  10.1007/bf00953725

文献信息

• Derivatised molecules for mass spectrometry
  申请人：OXFORD GENE TECHNOLOGY IP LIMITED

  公开号：EP1506959A2

  公开（公告）日：2005-02-16

  Compounds of formula (IIa): are provided where: X is a group capable of being cleaved from the α-carbon atom to form an ion of formula (I') C is a carbon atom bearing a single positive charge or a single negative charge; The invention further provides compounds of formula (IIb): where: X is a counter-ion to C. The compounds of formula (IIa) and (IIb) may form ions of formula (I') by either cleaving the C-X bond between X and the α-carbon atoms in the case of the compounds of formula (IIa) or dissociating X in the case of compounds of formula (IIb).

  式（IIa）的化合物如下所示： 其中： X是一个能够从α-碳原子上被切断以形成式（I'）离子的基团； C是带有单一正电荷或单一负电荷的碳原子； 本发明还提供了式（IIb）的化合物： 其中： X是C的对离子。 式（IIa）和（IIb）的化合物可以通过在式（IIa）的化合物中切断X和α-碳原子之间的C-X键，或在式（IIb）的化合物中解离X，形成式（I'）离子。
• 6-Substituted 3-Fluoro-2-Pyridinaldoxime, 3-Fluoro-2-pyridine hydroxamic acid, and 3-Fluoro-2-Pyridinamidoxime scaffolds
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US11370772B2

  公开（公告）日：2022-06-28

  Disclosed is a compound of formula (II), as well as to a process for preparing the compounds of formula (II) by a chemoselective Sonogashira reaction. It also relates to a pharmaceutical composition including at least one compound of formula (II) and at least one pharmaceutically acceptable support. Finally, it relates to the use of such a compound as a medicine, preferably in the treatment of a nervous and/or respiratory failure due to intoxication with at least one organophosphorous nerve agent; in the treatment of neurological diseases such as Alzheimer's disease; and/or in the treatment of cancer; and/or for use as antiviral drug.

  本发明公开了一种式 (II) 化合物，以及通过化学选择性 Sonogashira 反应制备式 (II) 化合物的工艺。还涉及一种药物组合物，包括至少一种式（II）化合物和至少一种药学上可接受的支持物。最后，本发明还涉及此类化合物作为药物的用途，优选用于治疗至少一种有机磷神经毒剂中毒引起的神经和/或呼吸衰竭；治疗神经系统疾病，如阿尔茨海默病；和/或治疗癌症；和/或用作抗病毒药物。
• Stable near-infrared (nir) marker dyes based on benzopyrylium-polymethines
  申请人：——

  公开号：US20020115862A1

  公开（公告）日：2002-08-22

  The [invention] disclosure is directed to so-called laser-compatible NIR marker dyes based on polymethines for use in optical, in particular, fluorescence optical determination and detection methods, for example, in the fields of medicine, pharmaceutics and in the areas of life science, materials science and environmental science. The disclosure further discusses the aim of the invention which was to create NIR marker dyes based on polymethine which have a high degree of photostability and stability in storage as well as a high fluorescent yield and which can be excited to fluorescence in the easiest possible manner by means of laser radiation in the visible or NIR spectral range, particularly with light of an argon, helium/neon, or diode laser. [According to the invention, dyes] Dyes based on polymethine of general formula (I) are used.

  本[发明]公开的内容是基于聚甲基乙烯的所谓激光兼容近红外标记染料，用于光学，特别是荧光光学测定和检测方法，例如，在医学、药学以及生命科学、材料科学和环境科学领域。该公开进一步讨论了本发明的目的，即创造基于聚甲醛的近红外标记染料，这种染料具有高度的光稳定性和储存稳定性以及高荧光产率，并且可以通过可见光或近红外光谱范围内的激光辐射，特别是氩、氦/氖或二极管激光的光，以最简单的方式激发出荧光。[根据本发明，使用基于通式（I）的聚甲胺的染料]。
• Revised Structure for the Diphenylaminyl Radical:  The Importance of Theory in the Assignment of Electronic Transitions in Ph₂X^• (X = CH, N) and PhY^• (Y = CH₂, NH, O)
  作者：Gino A. DiLabio、Grzegorz Litwinienko、Shuquiong Lin、Derek A. Pratt、K. U. Ingold

  DOI：10.1021/jp026279i

  日期：2002.12.1

  Density functional theory indicates that the minimum energy structure of the diphenylaminyl radical, Ph2N., has a "staggered" conformation in which the two phenyl rings are twisted relative to each other by an angle, phi, of 40degrees. In this conformation, the aromatic rings are oriented so as to maximize interaction with the unpaired electron while minimizing. repulsion between the 2- and 2'-hydrogen atoms. This calculated ground state structure of Ph2N. differs from that, which has been accepted for the past 15 years, which had the two rings orthogonal (phi = 90degrees) with one ring conjugating with the nitrogen's lone pair and the other conjugating with the unpaired electron. This structure was based on unexpected differences between the UV-vis absorption spectra of Ph2N. and the diphenylmethyl radical. However, our calculations indicate that this orthogonal structure lies 3.5 kcal/mol above the global minimum. Further support for the staggered conformation of Ph2N. is provided by the similarities between absorption transition wavelengths determined theoretically and the experimental absorption bands of Ph2N. and other diarylaminyl radicals generated by laser flash photolysis. The long wavelength transition of Ph2N., resulting in a structure that can be represented as (Ph-2)N-+(-), is red-shifted as compared to the related transition from Ph2CH. to (Ph-2)+CH- due to the electronegativity of the N atom. The absorption bands for PhCH2., PhNH., and PhO. in the 300-450 nm region are similar in position, which has been taken to indicate that for isoelectronic species the electronic transition energies should be little affected by heteroatom substitution. Our calculations show, however, that these sets of absorption bands arise from different transitions. Therefore, the experimentally similar 300-450 nm absorption bands for these three radicals are fortuitous and do not reflect some common, unifying traits, a fact that further serves to emphasize the importance of theory in the assignment of bands due to electronic transitions.
• STABILE NIR-MARKER-FARBSTOFFE AUF DER BASIS VON BENZOPYRYLIUM-POLYMETHINEN
  申请人：Dyomics GmbH

  公开号：EP1283855B1

  公开（公告）日：2005-11-02