1,2-dimethoxy-4-((E)-2-nitro-but-1-enyl)-benzene | 60002-96-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-dimethoxy-4-((E)-2-nitro-but-1-enyl)-benzene
• 英文别名: 3,4-Dimethoxy-1-(2-nitro-but-1-enyl)-benzol；2-Nitro-(3,4-dimethoxy-phenyl)-but-1-en；1,2-dimethoxy-4-[(E)-2-nitrobut-1-enyl]benzene
• CAS: 60002-96-2
• 化学式: C₁₂H₁₅NO₄
• 分子量: 237.255
• InChiKey: NRBCNHBQBWHAJU-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(1-Ethylsulfanyl-2-nitro-butyl)-1,2-dimethoxy-benzene 以92%的产率得到
  参考文献：
  名称：

  NAGAO Y.; KANEKO K.; FUJITA E., TETRAHEDRON LETT. , 1976, NO 15, 1215-1218

  摘要：

  DOI：

文献信息

• Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150210682A1

  公开（公告）日：2015-07-30

  The invention provides novel compounds having the general formula: wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有一般公式的新化合物： 其中R1、R2、R3、R4、R5和R6如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• [EN] PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES<br/>[FR] DÉRIVÉS DE PHÉNÉTHYLAMIDE ET LEURS ANALOGUES HÉTÉROCYCLIQUES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010044054A1

  公开（公告）日：2010-04-22

  The invention relates to novel phenethylamide derivatives and their heterocyclic analogues of formula (I), wherein A, B, R1, R2 and R3 are as described in the application, and to the use of such compounds, or of pharmaceutically acceptable salts of such compounds, as medicaments, especially as orexin receptor antagonists.

  这项发明涉及新型苯乙酰胺衍生物及其异环类似物，其化学式为(I)，其中A、B、R1、R2和R3如申请中所述，并且涉及将这种化合物或这种化合物的药用可接受盐用作药物，特别是促进睡眠的药物受体拮抗剂。
• PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES
  申请人：Aissaoui Hamed

  公开号：US20110212968A1

  公开（公告）日：2011-09-01

  The invention relates to novel phenethylamide derivatives and their wherein A, B, R 1 , R 2 and R 3 are as described in the application, and to the use of such compounds, or of pharmaceutically acceptable salts of such compounds, as medicaments, especially as orexin receptor antagonists.

  本发明涉及新型苯乙酰胺衍生物及其其中A、B、R1、R2和R3如本申请中所述的衍生物的药物学上可接受的盐的使用，特别是作为药物，尤其是作为促进睡眠的药物，如促进睡眠的药物。
• β-Nitrostyrene derivatives as broad range potential antifungal agents targeting fungal cell wall
  作者：Asiya Ramzan、Sajad Ahmad Padder、Khalid Z Masoodi、Syed Shafi、Inayatullah Tahir、Reiaz Ul Rehman、Rajendra Prasad、Abdul Haseeb Shah

  DOI：10.1016/j.ejmech.2022.114609

  日期：2022.10

  revealed that β-Nitrostyrene derivatives are fungicidal and show the synergy of action when combined with antifungal drugs caspofungin and fluconazole. The transcriptomic study performed on C. albicans in the presence of β-Nitrostyrene derivatives revealed the differential expression of genes related to cell wall metabolism. Mechanistically, β-Nitrostyrene derivatives impact cell wall morphology, enhance

  在过去的几十年中，多药耐药性的流行越来越明显。人类病原真菌对目前可用的抗真菌剂的耐药性增加了真菌感染的频率和相关的死亡率。新型先导抗真菌药物的发现对于挑战多药耐药性具有重要意义。本研究检测了化学合成的 β-硝基苯乙烯衍生物的抗真菌潜力。在本研究中使用的八种 β-硝基苯乙烯衍生物中，SS45、SS46 和 SS47 显示出很强的抗真菌潜力。结果表明，β-硝基苯乙烯衍生物抑制了不同种类的人类致病性念珠菌的生长，特别是高度流行的白色念珠菌、光滑念珠菌和新出现的致病性耳念珠菌。而且，β-硝基苯乙烯衍生物对耐药临床分离株和药物转运蛋白过表达的真菌物种也显示出很强的抗真菌活性。药敏试验表明，β-硝基苯乙烯衍生物具有杀菌作用，与抗真菌药物卡泊芬净和氟康唑合用时表现出协同作用。在存在 β-硝基苯乙烯衍生物的情况下对白色念珠菌进行的转录组学研究揭示了与细胞壁代谢相关的基因的差异表达。从机理上讲，β-硝基苯乙烯衍生物影响细胞壁形态，增强
• Henry condensation under high pressure 2. Effect of aromatic aldehyde type and pressure on the yield of ?-nitrostyrenes and secondary processes
  作者：N. E. Agafonov、I. P. Sedishev、A. V. Dudin、A. A. Kutin、G. A. Stashina、V. M. Zhulin

  DOI：10.1007/bf00965433

  日期：1991.2

  Condensation of aromatic aldehydes (I)-(XX) with EtNO2 and n-PrNO2 in AcOH in the presence of AcONH4 or i-BuNH2 gives primarily omega-nitrostyrenes (Ia, b)-(XXa, b) and small quantities of nitriles (Ic)-(XXc), oximes (Id)-(XXd), and ketones (Ie, f)-(XXe, f). The yields of (Ia, b)-(XXa, b) at P = 1 atm are higher for acceptor substituents on the aromatic ring whereas at P = 10 kbar, they are higher for donor substituents. High pressures suppress the formation of (Ic-f)-(XXc-f) and the Z-isomers of (Ia, b)-(XXa, b). The high pressure technique is especially useful in the preparation of donor-substituted (Ia, b)-(XXa, b) which are intermediates in the synthesis of the psychotropic beta-phenylethylamines.