(4-hydroxybenzyl)-succinic acid | 7418-24-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (4-hydroxybenzyl)-succinic acid
• 英文别名: α-(4-Hydroxy-benzyl)-bernsteinsaeure；rac.-p-Hydroxybenzyl-bernsteinsaeure；(4-Hydroxybenzyl)succinic acid；2-[(4-hydroxyphenyl)methyl]butanedioic acid
• CAS: 7418-24-8；7438-85-9；21788-99-8
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: JNJWXECUICPRKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[(4-methoxyphenyl)methyl]succinic acid dimethyl ester 在 氢溴酸 作用下， 生成 (4-hydroxybenzyl)-succinic acid
  参考文献：
  名称：

  Factor VIIa inhibitors: Improved pharmacokinetic parameters

  摘要：

  Efforts to improve the potency and pharmacokinetic properties of small molecule factor VIIa inhibitors are described. Small structural modifications to existing leads allow the modulation of half-life and clearance, potentially making these compounds suitable candidates for drug development. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.037

文献信息

• Mechanism of Benzylsuccinate Synthase Probed by Substrate and Isotope Exchange
  作者：Lei Li、E. Neil G. Marsh

  DOI：10.1021/ja067329q

  日期：2006.12.1

  metabolism of toluene through an unusual reaction in which toluene is added to fumarate to produce (R)-benzylsuccinate. We have exploited the broad substrate range of the enzyme to demonstrate that the enzyme can catalyze the exchange of p-cresol with the benzyl portion of benzylsuccinate to form (4-hydroxybenzyl)-succinate, indicating that the reverse reaction (disproportionation of benzylsuccinate to

  苄基琥珀酸合酶通过一种不寻常的反应催化甲苯厌氧代谢的第一步，在该反应中将甲苯添加到富马酸盐中以产生 (R)-苄基琥珀酸。我们利用酶的广泛底物范围来证明该酶可以催化对甲酚与琥珀酸苄酯的苄基部分交换形成（4-羟基苄基）-琥珀酸，表明逆反应（琥珀酸苄酯歧化为甲苯）和富马酸盐）必须发生。尽管逆反应的平衡常数极其不利，Keq 在 4 摄氏度时约为 8 x 10-11 M，但酶催化逆反应的速率仅比正反应慢 250 倍。此外，使用氘标记的苄基琥珀酸，我们观察到氘与溶剂的部分交换。
• COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY
  申请人：Sorbonne Université

  公开号：EP3466417A1

  公开（公告）日：2019-04-10

  The invention pertains to a compound of formula (I) as detailed herein, one of its pharmaceutically acceptable salts, or a composition comprising thereof, for use in the prevention or treatment of glucose intolerance related conditions, insulin deficit related conditions, nonalcoholic fatty liver disease and/or obesity.

  本发明涉及本文详述的式 (I) 化合物、其药学上可接受的盐类之一或包含其的组合物，用于预防或治疗葡萄糖不耐受相关疾病、胰岛素缺乏相关疾病、非酒精性脂肪肝和/或肥胖症。
• COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY.
  申请人：Sorbonne Université

  公开号：EP3691624A1

  公开（公告）日：2020-08-12
• ANALYSIS AND ENHANCEMENT OF METABOLIC PATHWAYS FOR METHANOGENESIS
  申请人：Havemen Shelley

  公开号：US20100035309A1

  公开（公告）日：2010-02-11

  Processes for biogenic production of a hydrogen-carbon-containing fluid from a hydrocarbon containing formation are described. The processes may include providing in the formation an anaerobic microorganism consortium containing one or more enzymes to activate a starting hydrocarbon by an addition of a chemical group to the hydrocarbon. The processes may further include converting the activated hydrocarbon into the hydrogen-carbon-containing fluid through one or more intermediate hydrocarbons, and recovering the hydrogen-carbon-containing fluid from the formation.
• [EN] COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOSE INTOLERANCE RELATED CONDITIONS AND OBESITY.<br/>[FR] COMPOSÉS POUR LA PRÉVENTION ET LE TRAITEMENT D'ÉTATS PATHOLOGIQUES LIÉS À L'INTOLÉRANCE AU GLUCOSE ET DE L'OBÉSITÉ
  申请人：UNIV SORBONNE

  公开号：WO2019068788A1

  公开（公告）日：2019-04-11

  The invention pertains to a compound of formula (I) as detailed herein, one of its pharmaceutically acceptable salts, or a composition comprising thereof, for use in the prevention or treatment of glucose intolerance related conditions, insulin deficit related conditions, nonalcoholic fatty liver disease and/or obesity.