N-(4-Acetoxy-benzyl)-acetamid | 55458-49-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: N-(4-Acetoxy-benzyl)-acetamid
• 英文别名: Essigsaeure-<4-(acetamidomethyl)-phenyl>-ester；1-acetoxy-4-(acetylamino-methyl)-benzene；α-Acetamino-4-acetoxy-toluol；1-Acetoxy-4-(acetylamino-methyl)-benzol；4-acetaminomethyl phenyl acetate；[4-(Acetamidomethyl)phenyl] acetate
• CAS: 55458-49-6
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: CRYYPEKJBSOVDS-UHFFFAOYSA-N

物化性质

• 熔点：
  77-78 °C
• 沸点：
  409.4±38.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-Acetoxy-benzyl)-acetamid 在 盐酸 、 硫酸 、 potassium carbonate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 10.0h， 生成 6-aminomethylcoumarin
  参考文献：
  名称：

  Colorimetric and fluorescence sensing of anions using thiourea based coumarin receptors

  摘要：

  Thiourea-containing coumarins 1, 2 have been designed and synthesized via reaction of 6-aminomethylcoumarin and the corresponding isothiocyanates. Their anion-binding ability has been examined using UV-vis, fluorescence and H-1 NMR. The anion recognition takes place through charge neutral thiourea receptor sites with concomitant fluorescence quenching of the coumarin moiety with 1 showing a strong binding to C6H5COO- over F- with a distinct change in color. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.035
• 作为产物：
  描述：

  4-氰基乙酸苯酯 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 N-(4-Acetoxy-benzyl)-acetamid
  参考文献：
  名称：

  Colorimetric and fluorescence sensing of anions using thiourea based coumarin receptors

  摘要：

  Thiourea-containing coumarins 1, 2 have been designed and synthesized via reaction of 6-aminomethylcoumarin and the corresponding isothiocyanates. Their anion-binding ability has been examined using UV-vis, fluorescence and H-1 NMR. The anion recognition takes place through charge neutral thiourea receptor sites with concomitant fluorescence quenching of the coumarin moiety with 1 showing a strong binding to C6H5COO- over F- with a distinct change in color. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.035

文献信息

• Synthesis and pharmacological evaluation of piperidine (piperazine)-amide substituted derivatives as multi-target antipsychotics
  作者：Ling Huang、Lanchang Gao、Xiaohua Zhang、Lei Yin、Jintao Hu、Ting Song、Yin Chen

  DOI：10.1016/j.bmcl.2020.127506

  日期：2020.10

  We report the optimisation of a series of novel amide-piperidine (piperazine) derivatives using the multiple ligand approach with dopamine and serotonin receptors. Of the derivatives, compound 11 exhibited high affinity for the D2, 5-HT1A, and 5-HT2A receptors, but low affinity for the 5-HT2C and histamine H1 receptors and human ether-a-go-go-related gene (hERG) channels. In vivo, compound 11 reduced

  我们报告了与多巴胺和5-羟色胺受体的多配体方法一系列新型酰胺-哌啶（哌嗪）衍生物的优化。在衍生物中，化合物11显示出高亲和力为d 2，5-HT 1A和5-HT 2A受体，但低亲和性对5-HT 2C和组胺H 2 1受体和人ether-A-GO-中间人相关基因（hERG）通道。体内化合物11即使在测试的最高剂量下，阿扑吗啡引起的攀爬，MK-801引起的活动过度和DOI引起的头部抽搐也没有明显的僵直。另外，它在CAR测试中表现出抑制作用。此外，在一个新颖的物体识别任务中，它显示了识别属性。因此，化合物11是有希望的候选多靶点抗精神病药。
• [EN] DIRECTED CONJUGATION TECHNOLOGIES<br/>[FR] TECHNOLOGIES DE CONJUGAISON DIRIGÉE
  申请人：KLEO PHARMACEUTICALS INC

  公开号：WO2021102052A1

  公开（公告）日：2021-05-27

  Among other things, the present disclosure provides technologies for site-directed conjugation of various moieties of interest to target agents. In some embodiments, the present disclosure utilizes target binding moieties to provide high conjugation efficiency and selectivity. In some embodiments, provided technologies are useful for preparing antibody conjugates.

  本公开提供了用于将各种感兴趣的分子与目标剂进行定点偶联的技术。在某些实施方式中，本公开利用目标结合分子以提供高偶联效率和选择性。在某些实施方式中，所提供的技术可用于制备抗体偶联物。
• Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation
  申请人：Boehringer Mannheim GmbH

  公开号：US04258058A1

  公开（公告）日：1981-03-24

  Phenoxyalkylcarboxylic acid compounds of the formula ##STR1## wherein R is hydrogen or lower alkyl R.sub.1 is alkyl or aryl, aralkyl or aralkenyl radical, the aryl moiety of which can be substituted one or more times by halogen, hydroxyl, trifluoromethyl or lower alkyl, alkoxy or acyl R.sub.2 and R.sub.3 are individually selected from hydrogen or lower alkyl, and n is 0, 1, 2 or 3 and the physiologically acceptable salts, esters and amides thereof; are outstandingly effective in inhibiting thrombocyte aggregation.

  该公式中的Phenoxyalkylcarboxylic酸化合物，其中R是氢或较低的烷基，R.sub.1是烷基或芳基，芳基可以被卤素、羟基、三氟甲基或较低的烷基、烷氧基或酰基取代一次或多次，R.sub.2和R.sub.3分别选自氢或较低的烷基，n为0、1、2或3，其生理上可接受的盐、酯和酰胺在抑制血小板聚集方面具有出色的效果。
• [EN] ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENT UTILISANT UNE TECHNOLOGIE DE COUPLAGE POUR ADMINISTRER DES AGENTS CYTOTOXIQUES
  申请人：BIOHAVEN THERAPEUTICS LTD

  公开号：WO2022246086A1

  公开（公告）日：2022-11-24

  Among other things, the present disclosure provides technologies for site-directed conjugation of various moieties of interest to target agents. In some embodiments, the present disclosure utilizes target binding moieties to provide high conjugation efficiency and selectivity. In some embodiments, provided technologies are useful for preparing antibody conjugates.

  除其他事项外，本公开提供了用于将各种感兴趣的物质定向结合到目标试剂上的技术。在某些实施例中，本公开利用目标结合物质提供高结合效率和选择性。在某些实施例中，提供的技术对于制备抗体结合物很有用。
• Indole derivatives having a selective vasoconstrictor activity
  申请人：GLAXO GROUP LIMITED

  公开号：EP0240096A1

  公开（公告）日：1987-10-07

  Compounds are disclosed of formula (I): wherein R, represents halogen, C1 3 alkoxy, or a group R6R7NCO(CH2)p-, R6CONH(CH2)P-, R6R7NSO2(CH2)p-, or R8SO2NH(CH2)p - (where R6 and R7, each independently represents hydrogen or C, 3 alkyl, Ra represents C1 3 alkyl and p is zero or 1); R2 represents hydrogen or C, 3 alkyl; R3 represents hydrogen or C, 3 alkyl; R4 and R5 each independently represents hydrogen, a C1 3 alkyl or a 2-propenyl group; A represents -CO- or -SO2-; n represents an integer from 2 to 5; an m represents zero or an integer from 1 to 4; and physiologically acceptable salts and solvates (e.g. hydrates) thereof. The compounds have potent and selective vasoconstrictor activity and are indicated as useful for the treatment of migraine. The compounds may be formulated as pharmaceutical compositions with pharmaceutically acceptable carriers or excipients for administration by any suitable means. Various methods for the preparation of the compounds are disclosed.

  公开了式(I)化合物： 其中 R 代表卤素、C1 3 烷氧基或一个基团 R6R7NCO(CH2)p-, R6CONH( )P-, R6R7NSO2( )p-、 或 R8SO2NH（ ）p-（其中 R6 和 R7 各自独立地代表氢或 C，3 烷基，Ra 代表 C1 3 烷基，p 为 0 或 1）； R2 代表氢或 C，3 烷基； R3 代表氢或 C，3 烷基； R4 和 R5 各自独立地代表氢、 C1 3 烷基或 2-丙烯基； A 代表-CO-或-SO2-； n 代表 2 至 5 的整数；m 代表零或 1 至 4 的整数；及其生理上可接受的盐和溶液（如水合物）。 这些化合物具有强效和选择性血管收缩活性，可用于治疗偏头痛。这些化合物可与药学上可接受的载体或赋形剂配制成药物组合物，以任何合适的方式给药。公开了制备这些化合物的各种方法。