nicotinic acid (4-allyl-2-methoxy)phenyl ester | 35931-31-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: nicotinic acid (4-allyl-2-methoxy)phenyl ester
• 英文别名: 2-Methoxy-4-allylphenylnicotinat；Nicotinsaeure-(4-allyl-2-methoxy-phenylester)；(2-Methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate
• CAS: 35931-31-8
• 化学式: C₁₆H₁₅NO₃
• 分子量: 269.3
• InChiKey: YUMWYNOTOZFTDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  nicotinic acid (4-allyl-2-methoxy)phenyl ester 生成 (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate;hydrochloride
  参考文献：
  名称：

  MATHIEU, A.;BLUM, J.

  摘要：

  DOI：
• 作为产物：
  描述：

  烟酰氯 、 丁香酚 在 吡啶 、 苯 作用下， 生成 nicotinic acid (4-allyl-2-methoxy)phenyl ester
  参考文献：
  名称：

  Charonnat et al., Bulletin de la Societe Chimique de France, 1947, p. 339

  摘要：

  DOI：

文献信息

• Niacin compositions for reduction of amyloid beta peptide 42 (abeta 42) production and for treatment of alzheimer's disease (ad)
  申请人：Saxena Uday

  公开号：US20110097347A1

  公开（公告）日：2011-04-28

  The present invention discloses (1) phenolic ester hybrids of niacin with m-methoxy-p-hydroxy phenyl compounds like eugenol, vanillin, apocynin, ferulic acid, isoferulic acid and eugenol epoxide and (2) cocrystals of hybrids as above, particularly cocrystal of niacin-eugenol hybrid with cocrystal former like eugenol and oxalic acid (3) novel pharmaceutical compositions comprising a combination of niacin and one or more small molecule/potentiating agent like eugenol, curcumin, cinnamic acid, meclofenamic acid, and their use in the treatment of a disorder or a disease caused by excess production of amyloid beta peptide-42 (Aβ42), its deposition, accumulation, and plaque formation including Alzheimer's Disease, dementia and mild cognitive impairment as well as other neurodegenerative diseases such as Parkinson's Disease and ischemic stroke.

  本发明披露了(1)烟酸与m-甲氧基-p-羟基苯基化合物（如丁香酚、香草醛、阿波替宁、香豆酸、异香豆酸和丁香酚环氧化物）的酚酯杂化物，以及(2)上述杂化物的共晶体，特别是烟酸-丁香酚杂化物与丁香酚和草酸等共晶体形成剂的共晶体；(3)新型药物组合物，包括烟酸和一种或多种小分子/增效剂，如丁香酚、姜黄素、肉桂酸、美克洛酚酸，以及它们在治疗由淀粉样β肽42（Aβ42）过度产生、沉积、积累和斑块形成引起的疾病或紊乱，包括阿尔茨海默病、痴呆症和轻度认知障碍，以及其他神经退行性疾病，如帕金森病和缺血性中风的用途。
• Novel Niacin Compositions for Reduction of Amyloid Beta Peptide 42 (AB42) Production and for Treatment of Alzheimer's Disease
  申请人：Saxena Uday

  公开号：US20130338199A1

  公开（公告）日：2013-12-19

  The present invention discloses (1) phenolic ester hybrids of niacin with m-methoxy-p-hydroxy phenyl compounds like eugenol, vanillin, apocynin, ferulic acid, isoferulic acid and eugenol epoxide and (2) cocrystals of hybrids as above, particularly cocrystal of niacin-eugenol hybrid with cocrystal former like eugenol and oxalic acid (3) novel pharmaceutical compositions comprising a combination of niacin and one or more small molecule/potentiating agent like eugenol, curcumin, cinnamic acid, meclofenamic acid, and their use in the treatment of a disorder or a disease caused by excess production of amyloid beta peptide-42 (Aβ42), its deposition, accumulation, and plaque formation including Alzheimer's Disease, dementia and mild cognitive impairment as well as other neurodegenerative diseases such as Parkinson's Disease, Huntington's disease, multiple sclerosis, amytrophic lateral sclerosis and ischemic stroke.

  本发明公开了(1)烟酸与m-甲氧基-p-羟基苯基化合物如丁香酚、香草醛、狗毒素、阿魏酸、异阿魏酸和丁香酚环氧化物的酚酯杂化物，以及(2)上述杂化物的共晶体，特别是烟酸-丁香酚杂化物与丁香酚和草酸等共晶体形成剂的共晶体，以及(3)新型药物组合物，包括烟酸和一种或多种小分子/增效剂，如丁香酚、姜黄素、肉桂酸、美洛昔康酸，用于治疗由淀粉样β肽42(Aβ42)过度产生、沉积、蓄积和斑块形成引起的疾病或症状，包括阿尔茨海默病、痴呆和轻度认知障碍，以及其他神经退行性疾病，如帕金森病、亨廷顿病、多发性硬化症、肌萎缩侧索硬化和缺血性中风。
• 烟酸丁香酚酯-银（Ⅰ）配合物及其制备方法和 用途
  申请人：金华职业技术学院

  公开号：CN104761575B

  公开（公告）日：2016-11-02

  烟酸丁香酚酯‑银(Ⅰ)配合物及其制备方法和用途。本发明涉及一种新化合物——烟酸对乙酰氨基苯酯‑银(Ⅰ)配合物，同时还涉及该化合物的制备方法。所述配合物具有如下化学式，即：[AgL(NO3)]n，其中L为烟酸丁香酚酯，即烟酸(4‑烯丙基‑2‑甲氧基)苯酯，配合物是一个配位模式不寻常的一维结构，其中金属Ag(Ⅰ)中心为四配位模式，四个配位原子分别是两个碳原子、一个氮原子和一个氧原子，两个碳原子来自配体的烯烃，氮原子来自另一个配体的吡啶环，氧原子来自硝酸根离子。这样配体分子通过金属Ag(Ⅰ)相连接形成一维链状结构。一维链状结构通过Ag‑O弱作用形成二维层状结构，然后再通过C–H···O氢键弱作用形成三维立体结构。本发明的配合物具有稳定的荧光性能。
• Design and synthesis of eugenol derivatives, as potent 15-lipoxygenase inhibitors
  作者：Hamid Sadeghian、Seyed Mohammad Seyedi、Mohammad Reza Saberi、Zahra Arghiani、Mehdi Riazi

  DOI：10.1016/j.bmc.2007.10.016

  日期：2008.1

  A group of 4-allyl-2-methoxyphenol (eugenol) esters were designed, synthesized, and evaluated as potential inhibitors of soybean 15-lipoxygenase (SLO). Compounds 4c, 4d 4f, 4p, and 4q showed the best IC50 in SLO inhibition (IC50 = 1.7, 2.3, 2.1, 2.2, and 0.017 mu M respectively). All compounds were docked into SLO active site and showed that ally) group of compounds is oriented toward the iron atom in the active site of SLO. It is assumed that lipophilic interaction of ligand-enzyme would be in charge of inhibiting the enzyme activity. The selectivity of eugenol derivatives in inhibiting 15-HLOb was also compared with 15-HLOa by molecular modeling and multiple alignment techniques. (C) 2007 Elsevier Ltd. All rights reserved.
• MATHIEU, A.;BLUM, J.
  作者：MATHIEU, A.、BLUM, J.

  DOI：——

  日期：——