甲氧基胺盐酸盐-D3 | 110220-55-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 甲氧基胺盐酸盐-D3
• 英文名称: methoxy-d₃-amine hydrochloride
• 英文别名: d3-O-methylhydroxylammonium chloride；methoxy-d3-amine hydrochloride；Methoxyl-d3-amine Hydrochloride；O-(trideuteriomethyl)hydroxylamine;hydrochloride
• CAS: 110220-55-8
• 化学式: CH₅NO*ClH
• 分子量: 86.4939
• InChiKey: XNXVOSBNFZWHBV-NIIDSAIPSA-N

物化性质

• 溶解度：
  DMSO（少量）、甲醇（少量）、水（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.07
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-氧代-2-呋喃乙酸 、 甲氧基胺盐酸盐-D3 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以66%的产率得到(2Z)-2-(2-furyl)-2-(d₃-methoxyimino)acetic acid
  参考文献：
  名称：

  A practical synthesis of deuterium-labeled cefuroxime

  摘要：

  The deuterium-labeled cefuroxime, an internal standard drug, has been achieved in 5 steps from the commercially available methoxyl-d(3)-amine hydrochloride with 14% overall yield and chemical purity >99%, the isotope purity was over 98%.

  DOI：

  10.1016/j.mencom.2015.07.005
• 作为产物：
  描述：

  在 盐酸 、 溶剂黄146 作用下， 生成 甲氧基胺盐酸盐-D3
  参考文献：
  名称：

  CN115772154

  摘要：

  公开号：

文献信息

• Effects of Conventional Heating on the Stability of Major Olive Oil Phenolic Compounds by Tandem Mass Spectrometry and Isotope Dilution Assay
  作者：Mohamed Attya、Hicham Benabdelkamel、Enzo Perri、Anna Russo、Giovanni Sindona

  DOI：10.3390/molecules15128734

  日期：——

  all acting as strong antioxidants, radical scavengers and NSAI-like drugs. We now report the efficacy of MRM tandem mass spectrometry, assisted by the isotope dilution assay, in the evaluation of the thermal stability of selected active principles of extra virgin olive oil.

  橄榄油的质量通过准确和完善的方法进行感官测试。它可以将压榨油分为特级初榨油、初榨油和灯油。尽管如此，使用基于质谱方法的可靠独立方法筛选油或支持感官分析的分析方法将是方便的。已经提出了许多方法来评估由于不适当的技术处理（例如高温或低温除臭以及家庭烹饪过程）导致的特级初榨橄榄油的缺陷。特级初榨橄榄油 (EVOO) 的质量和营养价值可能与其酚类化合物的抗氧化性能有关。橄榄油是至少 30 种酚类化合物的来源，例如橄榄苦苷、油橄榄、羟基酪醇和酪醇，都作为强抗氧化剂、自由基清除剂和 NSAI 类药物。我们现在报告 MRM 串联质谱法在同位素稀释测定的辅助下，在评估特级初榨橄榄油的选定活性成分的热稳定性方面的功效。
• 哒嗪-3-甲酰胺化合物作为TYK2抑制剂
  申请人：广州费米子科技有限责任公司

  公开号：CN117186074A

  公开（公告）日：2023-12-08

  本发明提供了通式(I)的哒嗪‑3‑甲酰胺化合物，或其药学上可接受的盐、对映异构体、非对映异构体、外消旋体、溶剂合物、水合物、多晶型、前药或同位素变体。本发明还提供了包含所述化合物的药物组合物，其制备方法及其在治疗或预防TYK2激酶介导的疾病中的用途。#imgabs0#
• Kinetics of Rapid Internal Subgroup Rotation of a Group of Phenoxy Radicals as Studied by ENDOR Spectroscopy
  作者：Deanna C. Hurum、Robert W. Kreilick

  DOI：10.1021/j100031a004

  日期：1995.8

  Electron nuclear double resonance spectroscopy (ENDOR) has been used to study the rate of rotation of substituents at the para position of a group of phenoxy radicals. The para substituent of the molecules contain oxime groups with aliphatic substituents on the oxime carbon atom. The oxime nitrogen atom interacts with one of the phenoxy ring protons via a through space interaction. This interaction changes the electron-nuclear hyperfine coupling of this proton. Rotation of the para substituent with respect to the phenoxy ring interchanges the magnetically nonequivalent phenoxy ring protons and results in characteristic line shape changes of the ENDOR spectra from these protons. Analysis of the ENDOR Line shape allows one to determine the rate of rotation. Temperature dependence studies of rates of rotation allow one to determine activation parameters for rotation. These experiments show that the rate of rotation increases as the steric bulk of para substituent increases until the substituent becomes large enough to favor a nonplanar conformation. The ct-electron delocalization energy drives the molecules toward planar conformations which maximize delocalization of the spin into the oxime group while steric interactions between the aliphatic chains and the aromatic ring drive the molecule toward the conformation in which the oxime group is perpendicular to the ring. The activation energy for rotations is found to depend on the relative magnitude of these two types of interactions. The activation energy decreases with steric bulk until the aliphatic group is tert-butyl in which case the steric interaction is large compared to the pi-electron energy and the molecule assumes a perpendicular conformation. The activation entropy is found to be very dependant on the bulk of the substituent. These entropy changes are explained by reorganization of solvent molecules during rotation.
• [EN] DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE<br/>[FR] INHIBITEURS DE DHODH CONTENANT UN BIOISOSTÈRE D'ACIDE CARBOXYLIQUE
  申请人：[en]IMMUNIC AG

  公开号：WO2023118576A1

  公开（公告）日：2023-06-29

  The invention relates to novel, optionally deuterated compounds of Formula (I) and their use as medicament.
• A practical synthesis of deuterium-labeled cefuroxime
  作者：Dawei Liang、Yueqiu Wang、Yanyan Wang

  DOI：10.1016/j.mencom.2015.07.005

  日期：2015.7

  The deuterium-labeled cefuroxime, an internal standard drug, has been achieved in 5 steps from the commercially available methoxyl-d(3)-amine hydrochloride with 14% overall yield and chemical purity >99%, the isotope purity was over 98%.