O-[2-(二甲氨基)乙基]羟胺 | 21894-84-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: O-[2-(二甲氨基)乙基]羟胺
• 英文名称: 2-(aminooxy)-N,N-dimethylethanamine
• 英文别名: N-(2-dimethylamino)-ethoxyamine；2-(dimethylamino)ethoxyamine；dimethylaminoethoxyamine；2-(aminooxy)-N,N-dimethylethan-1-amine；O-(2-Dimethylamino-aethyl)-hydroxylamin；O-(2-dimethylamino-ethyl)-hydroxylamine；O-(2-N,N-dimethylaminoethyl)hydroxylamine；1-Aminooxy-2-dimethylamino-aethan；p-Dimethylamino-aethoxyamin；O-(2-dimethylaminoethyl)hydroxylamine；O-[2-(dimethylamino)ethyl]hydroxylamine
• CAS: 21894-84-8
• 化学式: C₄H₁₂N₂O
• mdl: MFCD00297138
• 分子量: 104.152
• InChiKey: NVYCCEFGRXBFOK-UHFFFAOYSA-N

物化性质

• 熔点：
  165-167 °C
• 沸点：
  48-50 °C(Press: 13 Torr)
• 密度：
  0.931±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-[2-(二甲氨基)乙基]羟胺 生成 [4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-phenylprop-1-enyl]phenyl] acetate
  参考文献：
  名称：

  CONGY, CHRISTIAN;GUEULE, PATRICK;LABEEUW, BERNARD;RINALDI, MURIELLE

  摘要：

  DOI：
• 作为产物：
  描述：

  2-N,N-dimethylaminoethyl acetone oxime 在 盐酸 作用下， 以 水 为溶剂， 以74%的产率得到O-[2-(二甲氨基)乙基]羟胺
  参考文献：
  名称：

  Research Letter: Structural Combination of Established 5-HT2A Receptor Ligands: New Aspects of the Binding Mode

  摘要：

  MH.MZ, MDL 100907, and altanserin are structurally similar 4‐benzoyl‐piperidine derivatives and are well accommodated to receptor interaction models. We combined structural elements of different high‐affinity and selective 5‐HT2A antagonists, as MH.MZ, altanserin, and SR 46349B, to improve the binding properties of new compounds. Three new derivatives were synthesized with a 4‐benzoyl‐piperidine moiety as the lead structure. The in vitro affinity of the novel compounds was determined by a [3H]MDL 100907 competition binding assay. The combination of MH.MZ and SR 46349B resulted in a compound (8) with a moderate affinity toward the 5‐HT2A receptor (Ki = 57 nm). The remarkably reduced affinity of other compounds (4a), (4b), and (4c) (Ki = 411, 360 and 356 nm respectively) indicates that MH.MZ can only bind to the 5‐HT2A receptor with the p‐fluorophenylethyl residue in a sterically restricted hydrophobic binding pocket.

  DOI：

  10.1111/j.1747-0285.2010.01011.x

文献信息

• [EN] OXAZOLIDINONE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTERIENS OXAZOLIDINONE
  申请人：PHARMACIA & UPJOHN CO LLC

  公开号：WO2005082897A1

  公开（公告）日：2005-09-09

  The present invention relates to novel amidoxime and amidine oxazolidinones of formula I , wherein R2, Y1, Y 2, Y3, X, W, G and U are as defined herein in the specification. The compounds of the present invention have potent activities against gram-positive bacteria.

  本发明涉及公式I的新型酰胺肟和酰胺噁唑啉，其中R2、Y1、Y2、Y3、X、W、G和U如本说明书中所定义。本发明的化合物对革兰氏阳性细菌具有强大的活性。
• Potent Cytotoxic C-11 Modified Geldanamycin Analogues
  作者：Zong-Qiang Tian、Zhan Wang、Karen S. MacMillan、Yiqing Zhou、Christopher W. Carreras、Thomas Mueller、David C. Myles、Yaoquan Liu

  DOI：10.1021/jm900098v

  日期：2009.5.28

  (GDM) with properties superior to those of 17-AAG, we synthesized C-11 modified derivatives of GDM including ethers, esters, carbazates, ketones, and oximes and measured their affinity for Hsp90 and their ability to inhibit growth of human cancer cells. In accordance with crystal structures reported for complexes of GDMs with Hsp90, bulky groups attached to C-11 interfered with Hsp90 binding while

  17-烯丙基氨基-17-去甲氧基格尔德霉素（17-AAG）抑制Hsp90的活性，Hsp90是治疗癌症的重要靶标。为了鉴定性质优于17-AAG的格尔德霉素（GDM）类似物，我们合成了C-11修饰的GDM衍生物，包括醚，酯，氨基甲酸酯，酮和肟，并测量了它们对Hsp90的亲和力及其能力抑制人类癌细胞的生长。根据报道的GDM与Hsp90配合物的晶体结构，与C-11相连的庞大基团会干扰Hsp90的结合，而较小的基团（如11- O）-甲基允许Hsp90结合。另外，这些类似物还显示出对人癌细胞系的体外细胞毒性。17-AAG的11-OH的酯化消除了Hsp90的体外结合。在细胞毒性的测量过程中，易水解的酯起着前药的作用。因此，在这些实验期间，酯被水解，释放出17-AAG。鉴定了相对于17-AAG具有改善的效力的几种11 - O-甲基-17-烷基氨基格尔德霉素类似物。
• 17α-<i>O</i>-(Aminoalkyl)oxime Derivatives of 3β,14β-Dihydroxy-5β-androstane and 3β-Hydroxy-14-oxoseco-D-5β-androstane as Inhibitors of Na⁺,K⁺-ATPase at the Digitalis Receptor
  作者：Mauro Gobbini、Paolo Barassi、Alberto Cerri、Sergio De Munari、Giorgio Fedrizzi、Marco Santagostino、Antonio Schiavone、Marco Torri、Piero Melloni

  DOI：10.1021/jm0109208

  日期：2001.11.1

  receptor was used to design these compounds. On that basis, the possibility to design novel potent inhibitors of Na(+),K(+)-ATPase without being constrained by the stereochemistry of the classical digitalis skeleton in the D-ring region was predicted. The binding affinities of the most potent compounds in the two series, (EZ)-17 alpha-[2-[(2-aminoethoxy)imino]ethyl]-5 beta-androstane-3 beta,14 beta-diol

  一系列的3 beta，14 beta-dihydroxy-5 beta-雄甾烷和3 beta-hydroxy-14-oxoseco-D-5 beta的洋地黄Na（+），K（+）-ATPase受体的合成和结合亲和力报道了带有17个α-（氨基烷氧基）亚氨基链的-雄甾烷衍生物。还研究了一些衍生物的正性肌力。我们最近提出的分子与洋地黄受体相互作用的模型被用来设计这些化合物。在此基础上，预测了设计新型Na（+），K（+）-ATPase抑制剂的可能性，而不受D环区域经典洋地黄骨架的立体化学的约束。这两个系列中最有效的化合物（EZ）-17 alpha- [2-[（2-氨基乙氧基）亚氨基]乙基] -5β-雄甾烷3β的结合亲和力，14β-二醇（6f）和（EZ）-3β-羟基-17α-[2-[（（2-氨基乙氧基）亚氨基]乙基] -14,15-seco-5β-雄烷-14-一（24c ）比有效的天然化合物洋地黄毒苷
• Imidazo-pyrimidine derivatives as ligands for gaba receptors
  申请人：——

  公开号：US20020193385A1

  公开（公告）日：2002-12-19

  A class of 3-phenylimidazo[1,2-&agr;]pyrimidine derivatives, substituted at the meta position of the phenyl ring by an optionally substituted aryl or heteroaryl group which is directly attached or bridged by an oxygen atom or a —NH— linkage, and further substituted on the phenyl ring by alkyl, trifluoromethyl, alkoxy or one or two halogen atoms, especially fluoro, are selective ligands for GABA A receptors, in particular having good affinity for the &agr;2 and/or &agr;3 and/or &agr;5 subunit thereof, and are accordingly of benefit in the treatment and/or prevention of adverse conditions of the central nervous system, including anxiety, convulsions and cognitive disorders.

  一类3-苯基咪唑[1,2-&agr;]嘧啶衍生物，苯环的间位被取代，取代基可以是直接连接或通过氧原子或-NH-键桥接的取代芳基或杂环芳基，苯环上进一步被取代为烷基，三氟甲基，烷氧基或一个或两个卤素原子，特别是氟，是GABAA受体的选择性配体，特别是对其中的&agr;2和/或&agr;3和/或&agr;5亚基具有良好的亲和力，因此对于治疗和/或预防中枢神经系统的不良症状，包括焦虑，惊厥和认知障碍具有益处。
• 西松烷化合物及其用途
  申请人：台湾卫生研究院

  公开号：CN118084932A

  公开（公告）日：2024-05-28

  本发明提供了一种式(I)所示的化合物，#imgabs0#每个变数均如说明书中所定义。本发明还包括含有此类化合物的医药组合物以及治疗发炎性病症的方法。