4-benzoyl-1H-pyrrol-2-ethanoic acid | 141054-46-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzoyl-1H-pyrrol-2-ethanoic acid
• 英文别名: 4-benzoyl-1H-pyrrole-2-acetic acid；2-(4-benzoyl-1H-pyrrol-2-yl)acetic acid
• CAS: 141054-46-8
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: DYTHIXOUJGTZSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1H-吡咯-2-乙酸乙酯 在 sodium hydroxide 、 三氯化铝 作用下， 以 甲醇 为溶剂， 反应 24.17h， 生成 4-benzoyl-1H-pyrrol-2-ethanoic acid
  参考文献：
  名称：

  The AlCL₃Catalyzed Benzoylation of Ethyl Pyrrole-2-Acetate: An Unusual 6-Substitution

  摘要：

  In this study, synthetic methodologies have been developed which are potentially useful in preparing 4- and 5-aroylpyrrole-2-acetic acids bearing no alkyl substituents on the heterocyclic nitrogen. These compounds are structurally related to a class of NSAIDs.

  DOI：

  10.1080/00397919208019277

文献信息

• CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF
  申请人：JENKEM TECHNOLOGY CO. LTD. TIANJIN BRANCH

  公开号：US20150359900A1

  公开（公告）日：2015-12-17

  A conjugate of water soluble polymer-amino acid oligopeptide-drug of Formula (I) below and a pharmaceutical composition comprising the conjugate are provided. In the conjugate, P is a water soluble polymer; X is a linking group, wherein the linking group links P and A 1 ; each of A 1 , A 2 and A 3 is independently same or different amino acid residue or amino acid analogue residue; each of D 1 and D 2 is independently same or different drug molecule residue; a is 0 or 1; b is an integer of 2-12; c is an integer of 0-7; d is 0 or 1. The conjugate could improve drug load capacity, water solubility, stability and activity of the drug.

  提供一种水溶性聚合物-氨基酸寡肽-药物的共轭物，其化学式（I）如下，并提供包含该共轭物的制药组合物。在该共轭物中，P是水溶性聚合物；X是一个连接基团，连接基团连接P和A1；A1、A2和A3中的每一个独立地是相同或不同的氨基酸残基或氨基酸类似物残基；D1和D2中的每一个独立地是相同或不同的药物分子残基；a为0或1；b是2-12的整数；c是0-7的整数；d为0或1。该共轭物能够提高药物的载荷能力、水溶性、稳定性和活性。
• HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS
  申请人：Yu, Chongxi

  公开号：EP2370406A1

  公开（公告）日：2011-10-05
• US9700633B2
  申请人：——

  公开号：US9700633B2

  公开（公告）日：2017-07-11
• [EN] HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS<br/>[FR] COMPOSITIONS À PÉNÉTRATION ÉLEVÉE ET LEURS APPLICATIONS
  申请人：YU CHONGXI

  公开号：WO2010065936A1

  公开（公告）日：2010-06-10

  High penetration compositions (HPC) of a parent compound, which are capable of crossing biological barriers with high penetration efficiency. The HPCs are capable of being converted to parent drugs or parent drug-related compounds such as metabolites after crossing one or more biological barriers and thus can render treatments for the conditions that the parent drugs or parent drug-related compounds can. Additionally, the HPCs are capable of reaching areas that their parent drugs or parent drug-related compounds may not be able to access or to render a sufficient concentration at the target areas HPCs of NSAIA, for example, have demonstrated indications such as treating hair loss. A HPC can be administered to a subject through various administration routes, e. g., locally delivered to an action site of a condition with a high concentration or systematically administered to a biological subject and enter the general circulation with a faster rate.
• The AlCL₃Catalyzed Benzoylation of Ethyl Pyrrole-2-Acetate: An Unusual 6-Substitution
  作者：Elena Alexandrou、Eleni Rekka、Vassilis J. Demopoulos

  DOI：10.1080/00397919208019277

  日期：1992.3

  In this study, synthetic methodologies have been developed which are potentially useful in preparing 4- and 5-aroylpyrrole-2-acetic acids bearing no alkyl substituents on the heterocyclic nitrogen. These compounds are structurally related to a class of NSAIDs.