N-(4-carboxybenzyl)nonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-carboxybenzyl)nonamide
• 英文别名: 4-[(Nonanoylamino)methyl]benzoic acid
• 化学式: C₁₇H₂₅NO₃
• 分子量: 291.39
• InChiKey: WAEDTCMOZPUQME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 4-[(nonanoylamino)methyl]benzoate 生成 N-(4-carboxybenzyl)nonamide
  参考文献：
  名称：

  RAFFERTY, MICHAEL F.;JOHNSON, GRAHAM

  摘要：

  DOI：

文献信息

• Benzoic acid and benzoic acid ester derivatives to treat headaches
  申请人：Warner-Lambert Company

  公开号：US04719232A1

  公开（公告）日：1988-01-12

  Novel benzoic acid or benzoic acid ester derivatives, pharmaceutical compositions and methods of use thereof are the present invention. Utility is for the treatment of arthritis, asthma, Raynaud's disease, inflammatory bowel disorders, trigeminal or herpetic neuralgia, inflammatory eye disorders, psoriasis, dental pain, and headaches, particularly vascular headache, such as migraine, cluster, mixed vascular syndromes, as well as nonvascular, tension headaches.

  新型苯甲酸或苯甲酸酯衍生物，以及其药物组合物和使用方法构成了本发明。其用途是治疗关节炎、哮喘、雷诺氏病、炎症性肠道疾病、三叉神经或带状疱疹性神经痛、炎症性眼部疾病、牛皮癣、牙痛和头痛，尤其是血管性头痛，如偏头痛、集簇头痛、混合性血管综合征，以及非血管性、紧张性头痛。
• Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0226223A2

  公开（公告）日：1987-06-24

  Novel benzoic acid or benzoic acid ester derivatives, pharmaceutical compositions and methods of use thereof are the present invention. Utility is for the treatment of arthritis, asthma, Raynaud's disease, inflammatory bowel disorders, trigeminal or herpetic neuralgia, infiammatory eye disorders, psoriasis, dental pain, and headaches, particularly vascular headache, such as migraine, cluster, mixed vascular syndromes, as well as nonvascular, tension headaches.

  本发明是新型苯甲酸或苯甲酸酯衍生物、药物组合物及其使用方法。本发明可用于治疗关节炎、哮喘、雷诺氏病、炎症性肠病、三叉神经痛或疱疹性神经痛、炎症性眼病、牛皮癣、牙痛和头痛，特别是血管性头痛，如偏头痛、丛集性头痛、混合血管综合征以及非血管性紧张性头痛。
• Analogs of capsaicin with agonist activity as novel analgesic agents; structure-activity studies. 1. The aromatic "A-region"
  作者：Christopher S. J. Walpole、Roger Wrigglesworth、Stuart Bevan、Elizabeth A. Campbell、Andy Dray、Iain F. James、Martin N. Perkins、Derek J. Reid、Janet Winter

  DOI：10.1021/jm00068a014

  日期：1993.8

  A series of analogues of capsaicin, the pungent principle of chilli peppers, was synthesized and tested in assays for capsaicin-like agonism in vitro. The results of these assays were compared with activities in an acute nociceptive model and a correlation was observed which established that the results of these in vitro assays were predictive of analgesia. Using a modular approach the structure-activity profile of specific regions of capsaicin congeners was established using an in vitro assay measuring Ca-45(2+) uptake into neonatal rat dorsal root ganglia neurones. Substituted benzylnonanamides 2a-z and N-octyl-substituted phenylacetamides 4a-v were made to test the requirements for activity in the aromatic ''A-region'' of the molecule. Compounds with the natural substitution pattern (2b and 4c) and the corresponding catechols (2i and 4g) were the most potent, although the catechols were less potent in vivo. Other substitution patterns have reduced activity. These results have established stringent structural requirements for capsaicin-like activity in this part of the molecule.
• RAFFERTY, MICHAEL F.;JOHNSON, GRAHAM
  作者：RAFFERTY, MICHAEL F.、JOHNSON, GRAHAM

  DOI：——

  日期：——
• US4689182A
  申请人：——

  公开号：US4689182A

  公开（公告）日：1987-08-25