7-Nitro-1-methylentetralin | 214698-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-Nitro-1-methylentetralin
• 英文别名: 1-Methylene-7-nitro-tetralin；4-methylidene-6-nitro-2,3-dihydro-1H-naphthalene
• CAS: 214698-07-4
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: GANHGMAIEGAQIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-Nitro-1-methylentetralin 在 对甲苯磺酰肼 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(7-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
  参考文献：
  名称：

  Dissociated Nonsteroidal Glucocorticoid Receptor Modulators; Discovery of the Agonist Trigger in a Tetrahydronaphthalene−Benzoxazine Series

  摘要：

  The tetrahydronaphthalene-benzoxazine glucocorticoid receptor (GR) partial agonist 4b was optimized to produce potent full agonists of GR. Aromatic ring substitution of the tetrahydronaphthalene leads to weak GR antagonists. Discovery of an "agonist trigger" substituent on the saturated ring of the tetrahydronaphthalene leads to increased potency and efficacious GR agonism. These compounds are efficacy selective in an NFkB GR agonist assay ( representing transrepression effects) over an MMTV GR agonist assay ( representing transactivation effects). 52 and 60 have NFkB pIC(50) = 8.92 (105%) and 8.69 (92%) and MMTV pEC(50) = 8.20 (47%) and 7.75 (39%), respectively. The impact of the trigger substituent on agonism is modeled within GR and discussed. 36, 52, and 60 have anti-inflammatory activity in a mouse model of inflammation after topical dosing with 52 and 60, having an effect similar to that of dexamethasone. The original lead was discovered by a manual agreement docking method, and automation of this method is also described.

  DOI：

  10.1021/jm060302x
• 作为产物：
  描述：

  7-硝基-3,4-二氢-2H-1-萘酮 、 亚甲基三苯基膦烷 生成 7-Nitro-1-methylentetralin
  参考文献：
  名称：

  Cyclopropane anisotropy. Effects of systematically varied cyclopropane geometries in aromatic systems

  摘要：

  DOI：

  10.1021/ja00764a042

文献信息

• Serine protease inhibitors
  申请人：——

  公开号：US20030018059A1

  公开（公告）日：2003-01-23

  Compounds of formula (I) 1 where R 5 , R 6a , each X, L, Cy and Lp are as defined in the specification, are tryptase inhibitors useful as antiinflammatory agents.

  式(I)1的化合物中，其中R5，R6a，每个X，L，Cy和Lp如规范中所定义，是作为抗炎剂有用的tryptase抑制剂。
• Imidazole and imidazoline derivatives and uses thereof
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US20020019390A1

  公开（公告）日：2002-02-14

  This invention is directed to novel imidazole and imidazoline derivatives which are selective agonists for cloned human &agr; 2 adrenergic receptors. This invention is also related to the use of these compounds for the treatment of any disease where modulation of the &agr; 2 receptors may be useful. The invention further provides for a pharmaceutical composition comprising a therapeutically effective amount of the above-defined compounds and a pharmaceutically acceptable carrier.

  本发明涉及一种新型咪唑和咪唑啉衍生物，它们是选择性激动剂，适用于克隆的人类α2肾上腺素受体。本发明还涉及使用这些化合物治疗任何调节α2受体可能有用的疾病。本发明还提供了一种药物组合物，包括上述定义化合物的治疗有效量和药学上可接受的载体。
• Imidazoline derivatives and uses thereof
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US06294566B1

  公开（公告）日：2001-09-25

  This invention is directed to novel imidazole and imidazoline derivatives which are selective agonists for cloned human &agr;2 adrenergic receptors. This invention is also related to the use of these compounds for the treatment of any disease where modulation of the &agr;2 receptors may be useful. The invention further provides for a pharmaceutical composition comprising a therapeutically effective amount of the above-defined compounds and a pharmaceutically acceptable carrier.

  这项发明涉及新型咪唑和咪唑啉衍生物，它们是选择性激动剂，可作用于克隆的人类α2肾上腺素受体。此发明还涉及使用这些化合物治疗任何需要调节α2受体的疾病。此发明还提供了一种药物组合物，包括上述定义化合物的治疗有效量和药学可接受的载体。
• Enantioselective [2+2] Cycloaddition of Allenyl Imide with Mono‐ or Disubstituted Alkenes
  作者：Wanlong Xiao、Lichao Ning、Shuang Xin、Shunxi Dong、Xiaohua Liu、Xiaoming Feng

  DOI：10.1002/anie.202211596

  日期：2022.11.2

  An efficient catalytic asymmetric [2+2] cycloaddition reaction of allenyl imide and alkenes was achieved by utilizing chiral N,N′-dioxide-magnesium(II) complex as the catalyst. This protocol provided a series of axially chiral cyclobutenes in high yields with excellent enantioselectivities. A stepwise mechanism was proposed based on experimental studies and DFT calculations and π–π stacking interaction

  以手性N , N'-二氧化镁(II)络合物为催化剂，实现了烯丙基亚胺与烯烃的高效催化不对称[2+2]环加成反应。该方案提供了一系列高收率且具有出色对映选择性的轴向手性环丁烯。基于实验研究和 DFT 计算提出了逐步机制，π-π 堆积相互作用对对映选择性至关重要。
• Construction of Chiral Quaternary Carbon Centers via Asymmetric Metal Carbene <i>gem</i>‐Dialkylation
  作者：Shanliang Dong、Kemiao Hong、Zhijing Zhang、Jingjing Huang、Xiongda Xie、Haoxuan Yuan、Wenhao Hu、Xinfang Xu

  DOI：10.1002/anie.202302371

  日期：2023.6.26

  An enantioselective three-component reaction of α-diazo ketones with alkenes and 1,3,5-triazines is reported, which leads to poly-functionalized chiral ketones with excellent enantioselectivity. This unprecedented metal carbene gem-dialkylation reaction features a cascade formal asymmetric allylation and aminomethylation process with concomitant construction of all-carbon quaternary stereocenters using

  报道了 α-重氮酮与烯烃和 1,3,5-三嗪的对映选择性三组分反应，这导致了具有优异对映选择性的多官能化手性酮。这种前所未有的金属卡宾宝石二烷基化反应具有级联的形式不对称烯丙基化和氨甲基化过程，同时使用现成的材料构建全碳季立构中心。