1t-(3-methoxy-4-ethoxy-phenyl)-buten-(1)-one-(3) | 943596-70-1

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1t-(3-methoxy-4-ethoxy-phenyl)-buten-(1)-one-(3)
• 英文别名: 4-(4-ethoxy-3-methoxy-phenyl)-but-3-en-2-one；1t-(3-Methoxy-4-aethoxy-phenyl)-buten-(1)-on-(3)；4-(4-Aethoxy-3-methoxy-phenyl)-but-3-en-2-on；4-(3-methoxy-4-ethoxyphenyl)-3-buten-2-one；4-(4-Ethoxy-3-methoxyphenyl)but-3-en-2-one；(E)-4-(4-ethoxy-3-methoxyphenyl)but-3-en-2-one
• CAS: 943596-70-1
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: RQAGBDMSRFJMFA-AATRIKPKSA-N

物化性质

• 熔点：
  108-109 °C
• 沸点：
  360.6±27.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1t-(3-methoxy-4-ethoxy-phenyl)-buten-(1)-one-(3) 、 盐酸二甲胺 在 聚合甲醛 、 乙醇 作用下， 生成 5-dimethylamino-1t-(3-methoxy-4-ethoxy-phenyl)-penten-(1)-one-(3)
  参考文献：
  名称：

  293.吡唑啉局部麻醉药。第二部分 烷基化3：4-二羟基亚苄基丙酮的衍生物

  摘要：

  DOI：

  10.1039/jr9380001568
• 作为产物：
  描述：

  4-乙氧基-3-甲氧基苯甲醛 、 丙酮 在 sodium hydroxide 作用下， 生成 1t-(3-methoxy-4-ethoxy-phenyl)-buten-(1)-one-(3)
  参考文献：
  名称：

  Dickinson; Heilbron; Irving, Journal of the Chemical Society, 1927, p. 1892

  摘要：

  DOI：

文献信息

• Cytotoxic and Antimicrobial Activity of Dehydrozingerone based Cyclopropyl Derivatives
  作者：Adrijana Z. Burmudžija、Jovana M. Muškinja、Marijana M. Kosanić、Branislav R. Ranković、Slađana B. Novaković、Snežana B. Đorđević、Tatjana P. Stanojković、Dejan D. Baskić、Zoran R. Ratković

  DOI：10.1002/cbdv.201700077

  日期：2017.8

  (4‐(4‐hydroxy‐3‐methoxyphenyl)‐3‐buten‐2‐one) and its O‐alkyl derivatives. Their microbiological activities toward some strains of bacteria and fungi were tested, as well as their in vitro cytotoxic activity against some cancer cell lines (HeLa, LS174 and A549). All synthesized compounds showed significant antimicrobial activity and expressed cytotoxic activity against tested carcinoma cell lines, but they showed

  以脱氢姜酮（4-（4-羟基-3-甲氧基苯基）-3-丁烯-2-酮）及其O为原料，制备了一系列1-乙酰基-2-（4-烷氧基-3-甲氧基苯基）环丙烷-烷基衍生物。测试了它们对某些细菌和真菌菌株的微生物活性，以及​​它们对某些癌细胞系（HeLa、LS174 和 A549）的体外细胞毒活性。所有合成的化合物均显示出显着的抗微生物活性并表达对测试癌细胞系的细胞毒活性，但它们对正常细胞系（MRC5）没有显着影响。丁基衍生物对 HeLa 细胞的活性最强（IC50 = 8.63 μm），而苄基衍生物对 LS174 和 A549 细胞系具有活性（IC50 分别为 10.17 和 12.15 μm）。
• Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use
  申请人：Zhu Liya

  公开号：US20080221106A1

  公开（公告）日：2008-09-11

  Disclosed Arylamine ketones of formula (I), their preparation methods, the pharmaceutical compositions containing them and their use in preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc.

  公开了式（I）的芳基胺酮化合物，它们的制备方法，含有它们的药物组合物以及在预防和/或治疗与斑块活化因子有关的疾病中的应用，特别是在抗炎和免疫方面，更特别地用于治疗急性或慢性炎症，如骨关节炎，变形性骨关节炎等。
• ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE
  申请人：INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES

  公开号：EP1783115B1

  公开（公告）日：2016-07-13
• Dehydrozingerone, Chalcone, and Isoeugenol Analogues as in Vitro Anticancer Agents
  作者：Jin Tatsuzaki、Kenneth F. Bastow、Kyoko Nakagawa-Goto、Seiko Nakamura、Hideji Itokawa、Kuo-Hsiung Lee

  DOI：10.1021/np060252z

  日期：2006.10.1

  Twenty-eight compounds related to dehydrozingerone ( 1), isoeugenol ( 3), and 2-hydroxychalcone ( 4) were synthesized and evaluated in vitro against human tumor cell replication. Except for isoeugenol analogues 27-35, most compounds exhibited moderate or strong cytotoxic activity against KB, KB-VCR ( a multidrug-resistant derivative), and A549 cell lines. In particular, chalcone 15 showed significant cytotoxic activity against the A549 cell line with an IC50 value of 0.6 mu g/mL. Furthermore, dehydrozingerone analogue 11 and chalcones 16 and 17 showed significant and similar cytotoxic activity against both KB (IC50 values of 2.0, 1.0, and 2.0 mu g/mL, respectively) and KB-VCR (IC50 values of 1.9, 1.0, and 2.0 mu g/mL, respectively) cells, suggesting that they are not substrates for the P-glycoprotein drug efflux pump.
• US8524744B2
  申请人：——

  公开号：US8524744B2

  公开（公告）日：2013-09-03