5-乙酰氨基-2-羟基苯甲酰胺 | 13913-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-乙酰氨基-2-羟基苯甲酰胺
• 英文名称: 5-Acetylamino-2-hydroxybenzamide
• 英文别名: 5-acetylamino-2-hydroxy-benzoic acid amide；5-Acetamino-2-hydroxy-benzamid；5-Acetylamino-2-hydroxy-benzoesaeure-amid；5-acetamido-2-hydroxybenzamide；Benzamide, 5-(acetylamino)-2-hydroxy-
• CAS: 13913-32-1
• 化学式: C₉H₁₀N₂O₃
• 分子量: 194.19
• InChiKey: YXRPUZIIKDKSNR-UHFFFAOYSA-N

物化性质

• 熔点：
  204-206 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  462.5±40.0 °C(Predicted)
• 密度：
  1.390±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-乙酰氨基-2-羟基苯甲酰胺 在 sodium hydroxide 作用下， 生成 5-acetylamino-2-benzoyloxy-benzoic acid-(1-benzoyloxy-2,2,2-trichloro-ethylamide)
  参考文献：
  名称：

  Rana, Journal of the Indian Chemical Society, 1942, vol. 19, p. 299,300

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氨基水杨酸 在 ammonium hydroxide 、 氯化亚砜 、 硫酸 作用下， 以 氯仿 为溶剂， 反应 48.0h， 生成 5-乙酰氨基-2-羟基苯甲酰胺
  参考文献：
  名称：

  Identification of urinary metabolites of ecabapide in rat

  摘要：

  1. C-14-Ecabapide, 3-[[[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl]methyl]amino-N-methyl[C-14]benzamide, was dosed orally to rat (100mg/kg). Within 48h after dosing, 36.7+/-5.4 and 55.7+/-11.8% of the administered radioactivity was recovered from urine and faeces respectively.2. The unchanged drug was the major compound excreted in the urine and accounted for 37% of the urinary radioactivity. Seven urinary metabolites were purified by preparative hplc and their structures were elucidated by mass and H-1-nmr spectrometry.3. The major metabolic pathway of ecabapide was found to be the formation of 3-amino-N-methylbenzamide produced by N-dealkylation of the secondary amine at the 3-position of the benzamide moiety followed by acetylation.4. Further metabolic pathways of the N-methylbenzamide moiety were N-demethylation via the carbinolamine derivatives, and/or aromatic hydroxylation followed by glucuronidation.

  DOI：

  10.3109/00498259509061869

文献信息

• Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof
  申请人：Anderson Richard

  公开号：US20100009982A1

  公开（公告）日：2010-01-14

  The present invention provides compounds of formula I: along with methods of use of these compounds as pharmaceuticals, particularly in the treatment of obesity, metabolic syndrome, atherosclerosis, cardiovascular disease, insulin resistance, diseases associated with reduced neuronal metabolism, and cancer as well as the use of these compounds for treatment of pathogens of humans and animals, and for the control of agricultural pests, particularly fungi, weeds and insects.

  本发明提供了I式化合物，以及这些化合物作为药物的使用方法，特别是在肥胖、代谢综合征、动脉粥样硬化、心血管疾病、胰岛素抵抗、与减少神经代谢有关的疾病和癌症的治疗中的应用，以及这些化合物用于治疗人类和动物的病原体，并用于控制农业害虫，特别是真菌、杂草和昆虫。
• Modulators of acetyl-coenzyme A carboxylase and methods of use thereof
  申请人：Cropsolution, Inc.

  公开号：US08110570B2

  公开（公告）日：2012-02-07

  The present invention provides compounds of formula I: along with methods of use of these compounds as pharmaceuticals, particularly in the treatment of obesity, metabolic syndrome, atherosclerosis, cardiovascular disease, insulin resistance, diseases associated with reduced neuronal metabolism, and cancer as well as the use of these compounds for treatment of pathogens of humans and animals, and for the control of agricultural pests, particularly fungi, weeds and insects.

  本发明提供了I式化合物，以及这些化合物作为药物的使用方法，特别是在肥胖、代谢综合征、动脉硬化、心血管疾病、胰岛素抵抗、与减少神经代谢有关的疾病和癌症的治疗中，以及这些化合物用于治疗人和动物的病原体，并用于控制农业害虫，特别是真菌、杂草和昆虫的使用。
• MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF
  申请人：Cropsolution, Inc.

  公开号：EP2310015A1

  公开（公告）日：2011-04-20
• HIGH OIL CONTENT PLANTS
  申请人：Bayer BioScience N.V.

  公开号：EP2440034A1

  公开（公告）日：2012-04-18
• High Oil Content Plants
  申请人：Den Boer Bart

  公开号：US20120084883A1

  公开（公告）日：2012-04-05

  Methods and means to modulate oil content and/or oil yield in plants, such as oilseed rape plants are provided. Increased oil content and/or oil yield can be achieved by reducing the functional level or activity of PARP1, e.g. through reduction of the expression of the parp1 gene.