2-(4-methoxyphenyl)-1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane | 1346621-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-methoxyphenyl)-1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane
• 英文别名: 2-(4-Methoxyphenyl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
• CAS: 1346621-06-4
• 化学式: C₁₃H₁₈N₄O
• 分子量: 246.312
• InChiKey: WNOPKTCVVVDMDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  22.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乌洛托品 、 4-hydroxy-6-(4-methoxyphenyl)-5-[(4-methylphenyl)sulfonyl]-4-(trifluoromethyl)-tetrahydropyrimidin-2(1H)-one 以 甲苯 为溶剂， 反应 5.0h， 以72%的产率得到4-hydroxy-5-[(4-methylphenyl)sulfonyl]-4-(trifluoromethyl)-tetrahydropyrimidin-2(1H)-one
  参考文献：
  名称：

  2-Oxo-2-polyfluoroalkylethane-1-sulfones and -sulfamides in the Biginelli and ‘retro-Biginelli’ reactions

  摘要：

  2-Oxo-2-polyfluoroalkylethane-1-sulfones and -sulfamides react with aryl aldehydes and urea under Biginelli reaction conditions to yield 4-hydroxy-4-polyfluoroalky1-5-sulfony1-6-aryl-tetrahydropyrimidinones. The latter compounds on reaction with hexamethylenetetramine (HMTA) under thermal conditions undergo 'retro-Biginelli' reaction involving replacement of the 6-aryl substituent of the pyrimidinone cycle with a hydrogen atom donated by HMTA. Hexamethylenetetramine was employed for the first time in place of formaldehyde in the reported one-step Biginelli protocol for the synthesis of fluorinated sulfonyl-containing 6-unsubstituted tetrahydropyrimidinones. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.143

文献信息

• NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS
  申请人：PERRISSOUD Daniel

  公开号：US20100331343A1

  公开（公告）日：2010-12-30

  The present invention provides novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors according to formula (I) that are useful in the treatment or prophylaxis of physiological and/or pathophysiological conditions in mammals, preferably humans, that are mediated by GHS receptors. The present invention further provides GHS receptor antagonists and agonists that can be used for modulation of these receptors and are useful for treating above conditions, in particular growth retardation, cachexia, short-, medium- and/or long term regulation of energy balance; short-, medium- and/or long term regulation (stimulation and/or inhibition) of food intake; adipogenesis, adiposity and/or obesity; body weight gain and/or reduction; diabetes, diabetes type I, diabetes type II, tumor cell proliferation; inflammation, inflammatory effects, gastric postoperative ileus, postoperative ileus and/or gastrectomy (ghrelin replacement therapy).

  本发明提供了一种新型的三唑衍生物，作为ghrelin类生长激素分泌素受体的配体，其化学式为（I），可用于治疗或预防哺乳动物，尤其是人类的生理和/或病理生理状态，这些状态是通过GHS受体介导的。本发明还提供了GHS受体拮抗剂和激动剂，可用于调节这些受体，并用于治疗上述疾病，特别是生长迟缓，消瘦，短期，中期和/或长期调节能量平衡; 短期，中期和/或长期调节（刺激和/或抑制）食物摄入; 脂肪生成，脂肪含量和/或肥胖症; 体重增加和/或减少; 糖尿病，糖尿病I型，糖尿病II型，肿瘤细胞增殖; 炎症，炎症影响，胃术后肠麻痹，术后肠麻痹和/或胃切除（ghrelin替代疗法）。
• HIV REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1910360A2

  公开（公告）日：2008-04-16
• US8710089B2
  申请人：——

  公开号：US8710089B2

  公开（公告）日：2014-04-29
• [EN] HIV REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] INHIBITEURS DE LA TRANSCRIPTASE INVERSE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2007015809A2

  公开（公告）日：2007-02-08

  [EN] Compounds having the structure: are HIV reverse transcriptase inhibitors, wherein A, X, Y, Z, R₁ and R₂ are defined herein. The compounds and their pharmaceutically acceptable salts are useful in the inhibition of HIV reverse transcriptase, the prophylaxis and treatment of infection by HIV and in the prophylaxis, delay in the onset, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.
  [FR] Les composés représentés par la structure (I) sont des inhibiteurs de la transcriptase inverse du VIH. Dans ladite formule, A, X, Y, Z, R₁ et R₂ sont tels que définis dans la description. Les composés et leurs sels pharmaceutiquement acceptables sont utiles dans l'inhibition de la transcriptase inverse du VIH, dans la prophylaxie et le traitement d'une infection par le VIH ainsi que dans la prophylaxie, le retardement de l'apparition et le traitement du SIDA. Lesdits composés et leurs sels peuvent être utilisés en tant qu'ingrédients dans des compositions pharmaceutiques, éventuellement en combinaison avec d'autres antiviraux, immunomodulateurs, antibiotiques ou vaccins.