2-hydroxy-trans-cinnamic acid amide | 90563-74-9

• 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: 2-hydroxy-trans-cinnamic acid amide
• 英文别名: 2-Hydroxy-trans-zimtsaeure-amid；o-Coumaric acid amide；(E)-3-(2-hydroxyphenyl)prop-2-enamide
• CAS: 90563-74-9
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: WGPCXUHHAIEMGI-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-hydroxy-trans-cinnamic acid amide 在 吡啶 、 氯化亚砜 作用下， 反应 11.0h， 生成 chlorure de l'acide ortho-acetoxycinnamique
  参考文献：
  名称：

  一系列新的肉桂酸酰胺衍生物的合成和生物学评估，该衍生物为含有2-氨基噻唑亚结构的强效止血药

  摘要：

  设计并合成了十个含有2-氨基噻唑亚结构的肉桂酸衍生物。该系列化合物表现出良好的热稳定性，如通过热重分析所证明的。在体外凝血测定中（凝血酶原时间，活化的部分凝血活酶时间和凝血酶时间），大多数化合物表现出出色的促进血液凝固的活性。在所研究的系列中，化合物N1，N4，N5和W5表现出显着的凝结活性。进一步的研究表明，化合物N5（IC 50 = 1.87μmol/ L）表现出比临床使用的止血药依他木酸酯（IC 50  = 46.22μmol/ L）最合适的促进血小板凝集的功效。此外，在这项研究中探索了化合物的官能团与相应的凝血活性之间的关系。

  DOI：

  10.1016/j.bmcl.2017.07.058
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 ammonium hydroxide 作用下， 生成 2-hydroxy-trans-cinnamic acid amide
  参考文献：
  名称：

  Weerman, Recueil des Travaux Chimiques des Pays-Bas, 1918, vol. 37, p. 34

  摘要：

  DOI：

文献信息

• NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION
  申请人：PERKINELMER HEALTH SCIENCES, INC.

  公开号：US20190100654A1

  公开（公告）日：2019-04-04

  This disclosure provides a family of compounds that absorb and fluoresce in the short wave infrared region (SWIR, optionally 1000 nm to 1300 nm), including hydrophilic compounds that exhibit absorption and emission spectral profiles in aqueous solutions substantially similar to those observed in organic solvents such as methanol or DMSO. The compounds can be chemically linked to biomolecules including proteins, nucleic acids, and therapeutic small molecules. The compounds are useful for imaging in a variety of medical, biological and diagnostic applications, including SWIR in vivo imaging of regions of interest within a mammal.

  这份披露提供了一类在短波红外区域（SWIR，可选1000纳米至1300纳米）吸收和发射光的化合物家族，包括在水溶液中表现出吸收和发射光谱特性与甲醇或DMSO等有机溶剂中观察到的基本相似的亲水性化合物。这些化合物可以与蛋白质、核酸和治疗性小分子等生物分子化学连接。这些化合物可用于在各种医学、生物学和诊断应用中进行成像，包括对哺乳动物体内感兴趣区域进行SWIR成像。
• [EN] DRUG ANTIBODY CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENTS
  申请人：PHARMA MAR SA

  公开号：WO2021043951A1

  公开（公告）日：2021-03-11

  Drug conjugates having formula [D-(X)b-(AA)w-(T)g-(L)-]n-Ab wherein: D is a drug moiety having the following formula (I) or a pharmaceutically acceptable salt or ester thereof, wherein D is covalently attached via a hydroxy group at OR1, OR3 or ZH, or a thiol group at ZH to (X)b if any, or (AA)w if any, or to (T)g if any, or (L); that are useful in the treatment of cancer.

  药物偶联物具有公式 [D-(X)b-(AA)w-(T)g-(L)-]n-Ab，其中：D 是具有以下公式 (I) 的药物部分或其药用可接受的盐或酯，其中 D 通过 OR1、OR3 或 ZH 处的羟基或 ZH 处的巯基与 (X)b（如果存在）、或 (AA)w（如果存在）、或 (T)g（如果存在）、或 (L) 共价连接；该药物偶联物在癌症治疗中有用。
• NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS
  申请人：Loh Teck Peng

  公开号：US20110269972A1

  公开（公告）日：2011-11-03

  The present invention relates to a compound of general Formula (XX), its formation and its use in asymmetric catalysis. In Formula (XX) R and R 31 are independently —COOR 3 , —R 4 COOR 3 , —R 4 CHO, —R 4 COR 3 , —R 4 CONR 5 R 6 , —R 4 COX, —R 4 OP(═O)(OH) 2 , —R 4 P(═O)(OH) 2 ), —R 4 C(O)C(R 3 )CR 5 R 6 and —R 4 CO 2 COR 3 . In addition, R 31 may also be hydrogen. R 3 , R 5 and R 6 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si. R 4 an aliphatic bridge with a main chain having 1 to about 20 carbon atoms, an alicyclic bridge, an aromatic bridge, an arylaliphatic bridge or an arylalicyclic bridge, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si, and X is halogen. In Formula (XX) R 30 is —C(OH)R 1 R 2 or —COOR 14 , wherein R 1 , R 2 and R 14 are independently hydrogen, an aliphatic group with a main chain having 1 to about 20 carbon atoms, an alicyclic group, an aromatic group, an arylaliphatic group or an arylalicyclic group, comprising 0 to about 3 heteroatoms independently selected from the group consisting of N, O, S, Se and Si.

  本发明涉及一种一般式（XX）的化合物，其形成以及在不对称催化中的应用。在式（XX）中，R和R31独立地为—COOR3，—R4COOR3，—R4CHO，—R4COR3，—R4CONR5R6，—R4COX，—R4OP(═O)(OH)2，—R4P(═O)(OH)2，—R4C(O)C(R3)CR5R6和—R4CO2COR3。此外，R31也可以是氢。R3、R5和R6独立地为氢，具有主链含有1至约20个碳原子的脂肪基团，脂环基团，芳香基团，芳基脂基团或芳基脂环基团，包括0至约3个从N、O、S、Se和Si组成的杂原子。R4为具有主链含有1至约20个碳原子的脂肪桥，脂环桥，芳香桥，芳基脂桥或芳基脂环桥，包括0至约3个从N、O、S、Se和Si组成的杂原子，X为卤素。在式（XX）中，R30为—C(OH)R1R2或—COOR14，其中R1、R2和R14独立地为氢，具有主链含有1至约20个碳原子的脂肪基团，脂环基团，芳香基团，芳基脂基团或芳基脂环基团，包括0至约3个从N、O、S、Se和Si组成的杂原子。
• [EN] METHODS OF REDUCING VIRULENCE IN BACTERIA<br/>[FR] PROCÉDÉS DE RÉDUCTION DE LA VIRULENCE DE BACTÉRIES
  申请人：UWM RES FOUNDATION INC

  公开号：WO2011103189A1

  公开（公告）日：2011-08-25

  A method of reducing virulence in a bacterium comprising at least one of a GacS/GacA-type system, a HrpX/HrpY-type system, a T3SS-type system, and a Rsm-type system, the method comprising contacting the bacterium with an effective amount of a compound described herein.

  一种减少细菌毒力的方法，包括至少一个GacS/GacA型系统、一个HrpX/HrpY型系统、一个T3SS型系统和一个Rsm型系统，该方法包括将细菌与本文描述的化合物的有效量接触。
• CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：DAICEL CORPORATION

  公开号：US20150158820A1

  公开（公告）日：2015-06-11

  Provided is a crystal of an unsaturated carboxylic acid amide. The crystal is useful as or for fine chemicals such as pharmaceuticals, agricultural chemicals, polymeric materials, functional materials, and intermediates of them, has a high purity, still is not bulky, and can be handled excellently. The crystal includes an unsaturated carboxylic acid amide represented by Formula (1) in an amount of 95 percent by area or more and has a bulk density of 0.2 to 0.7 g/mL. In the formula, R 1 to R 5 are independently selected from hydrogen, alkyl, hydroxyl, alkoxy, and nitro. At least two of R 1 to R 5 may be linked to form a ring together with carbon atoms constituting the specified aromatic ring. R 6 , R 7 , and R 8 are independently selected from hydrogen, alkyl, and aryl. R 7 and R 8 may be linked to form a ring together with carbon atoms constituting the specified imidazole ring.

  提供的是一种不饱和羧酸酰胺的晶体。该晶体可用作或用于精细化学品，如制药、农药、聚合材料、功能材料以及它们的中间体，具有高纯度，仍然不臃肿，并且可以得到出色处理。该晶体包括95%或更多面积的由式（1）表示的不饱和羧酸酰胺，并且具有0.2至0.7克/毫升的堆积密度。在该式中，R1到R5独立选择自氢、烷基、羟基、烷氧基和硝基。R1到R5中至少两个可以连接在一起形成一个环，与构成指定芳香环的碳原子一起。R6、R7和R8独立选择自氢、烷基和芳基。R7和R8可以连接在一起形成一个环，与构成指定咪唑环的碳原子一起。