3-benzoylamino-trans-cinnamic acid | 116557-36-9

• 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: 3-benzoylamino-trans-cinnamic acid
• 英文别名: 3-Benzoylamino-trans-zimtsaeure；(2E)-3-[3-(benzoylamino)phenyl]acrylic acid；(E)-3-(3-benzamidophenyl)prop-2-enoic acid
• CAS: 116557-36-9
• 化学式: C₁₆H₁₃NO₃
• 分子量: 267.284
• InChiKey: JFXQFZAMJHVJLJ-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-benzoylamino-trans-cinnamic acid 在 乙醇 作用下， 生成 3-benzoylamino-trans-cinnamic acid ethyl ester
  参考文献：
  名称：

  368.环己烷-1：3-二酮。第四部分 其他三联苯衍生物的合成

  摘要：

  DOI：

  10.1039/jr9580001794
• 作为产物：
  描述：

  m-aminocinnamic acid 、 苯甲酰氯 在 sodium carbonate 作用下， 生成 3-benzoylamino-trans-cinnamic acid
  参考文献：
  名称：

  Heller, Chemische Berichte, 1913, vol. 46, p. 3978

  摘要：

  DOI：

文献信息

• Design, Synthesis and Structure−Activity Relationships of Novel Taxane-Based Multidrug Resistance Reversal Agents
  作者：Iwao Ojima、Christopher P. Borella、Xinyuan Wu、Pierre-Yves Bounaud、Cecilia Fumero Oderda、Matthew Sturm、Michael L. Miller、Subrata Chakravarty、Jin Chen、Qing Huang、Paula Pera、Tracy A. Brooks、Maria R. Baer、Ralph J. Bernacki

  DOI：10.1021/jm049483y

  日期：2005.3.1

  A series of novel taxane-based multidrug resistance (MDR) reversal agents (TRAs) has been designed and synthesized. Structure-activity relationship (SAR) study clearly indicates that modification of the C-7 position with hydrophobic arenecarbonyleinnamoyl groups brings about high potency against drug efflux mediated by P-glycoprotein (P-gp). Six TRAs exhibit ability to modulate a wide range of ATP-binding cassette (ABC) transporters, such as P-gp, multidrug resistance-associated protein 1 (MRP1), and breast cancer resistance protein (BCRP), which may serve as novel broad-spectrum modulators of ABC transporters.
• HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY
  申请人：Wilks Angela

  公开号：US20100081661A1

  公开（公告）日：2010-04-01

  Inhibitors of microbial heme oxygenase and their use for treatment of microbial infections and bioremediation. The inhibitors of microbial heme oxygenase are useful against a new class of antimicrobial agents to target infections that are persistently difficult to combat with the current spectrum of antimicrobial agents. Screening methods for selecting inhibitors of microbial heme oxygenase.
• Heller, Chemische Berichte, 1913, vol. 46, p. 3978
  作者：Heller

  DOI：——

  日期：——
• 368. cycloHexane-1 : 3-diones. Part IV. The synthesis of further terphenyl derivatives
  作者：G. R. Ames、W. Davey

  DOI：10.1039/jr9580001794

  日期：——