8-(p-Dimethylaminophenyl)theophylline | 54013-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-(p-Dimethylaminophenyl)theophylline
• 英文别名: 8-(4-(dimethylamino)phenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione；N1,N3-dimethyl-8-p-dimethylaminophenylxanthine；8-(4'-dimethylaminophenyl)theophylline；8-(4-dimethylamino-phenyl)-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione；8-(4'-N,N-Dimethylamino-phenyl)-theophyllin；8-(p-Dimethylaminophenyl) theophyllin；8-(4-Dimethylamino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione；8-[4-(dimethylamino)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
• CAS: 54013-59-1
• 化学式: C₁₅H₁₇N₅O₂
• 分子量: 299.332
• InChiKey: HTNJPRJMROLZIT-UHFFFAOYSA-N

物化性质

• 熔点：
  >330 °C
• 沸点：
  555.9±56.0 °C(Predicted)
• 密度：
  1.323±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,6-二氨基-1,3-二甲基脲嘧啶 在 间氯过氧苯甲酸 作用下， 以 乙醇 、 乙腈 为溶剂， 生成 8-(p-Dimethylaminophenyl)theophylline
  参考文献：
  名称：

  De Araujo, Aline D.; Bacher, Edmond; Joachim Demnitz, Heterocycles, 1999, vol. 51, # 1, p. 29 - 36

  摘要：

  DOI：

文献信息

• A facile and rapid one-step synthesis of 8-substituted xanthine derivatives via tandem ring closure at room temperature
  作者：Prabal Bandyopadhyay、Sumit K. Agrawal、Manisha Sathe、Pratibha Sharma、M.P. Kaushik

  DOI：10.1016/j.tet.2012.03.050

  日期：2012.5

  N-Bromo succinimide (NBS) was found to be an efficient and regioselective reagent in combination with AIBN for an unprecedented, facile and rapid one-step synthesis of 8-substituted xanthine derivatives at room temperature. The inexpensive, nontoxic and readily available NBS efficiently promoted the condensation of several aryl/cycloaryl/heteroaryl aldehydes with 5,6-diamino-1,3-dimethyluracils in

  N-溴代琥珀酰亚胺（NBS）与AIBN结合使用是一种高效且区域选择性的试剂，可在室温下空前，简便，快速地一步合成8-取代的黄嘌呤衍生物。在催化量的AIBN存在下，通过自由基链反应，在一步催化过程中，廉价，无毒且易于获得的NBS有效地促进了几种芳基/环芳基/杂芳基醛与5,6-二氨基-1,3-二甲基尿嘧啶的缩合。该方案的显着优点是反应时间短，反应条件温和，后处理简单，无需色谱分离，使用无害试剂/溶剂且适用于多种底物。
• Low glycemic response compositions
  申请人：The Procter & Gamble Co.

  公开号：US20020187219A1

  公开（公告）日：2002-12-12

  The present disclosure is related to compositions useful in the field of foods and beverages. In particular, the present invention relates to those compositions that reduce the postprandial rise in blood glucose (described as low Glycemic Index) that synergistically provide enhanced metabolism in the mammalian system and inhibit the storage of systemic fat. In particular, the present invention relates to compositions comprising: a) one or more flavanols; b) one or more bracers; and c) vitamin B; wherein the composition exhibits a Glycemic Index of about 55 or less. As disclosed, the unique combination of ingredients, which provide the defined, low Glycemic Index, work synergistically together to enhance perception of energy and/or improve physiological energy via metabolism enhancement over a long duration of time, without resulting in sudden peaks of glucose in the mammalian system. Thus, the present compositions effectively modulate glucose in the system, thereby providing energy to the system without resulting in the storage of systemic fat.

  本公开涉及在食品和饮料领域有用的组合物。特别是，本发明涉及那些能够减少餐后血糖上升（描述为低升糖指数）的组合物，这些组合物在哺乳动物系统中协同作用，提供增强的代谢作用并抑制系统性脂肪的储存。特别是，本发明涉及包括：a）一种或多种黄烷醇；b）一种或多种支链氨基酸；和c）维生素B的组合物；其中该组合物表现出约55或更低的升糖指数。如本文所述，这些独特的成分组合，以定义的低升糖指数为特征，协同作用，能够提高能量感知和/或通过代谢增强长时间改善生理能量，而不会导致哺乳动物系统中的血糖突然峰值。因此，本组合物有效地调节系统中的葡萄糖，从而为系统提供能量而不导致系统性脂肪的储存。
• Compositions, kits, and methods for promoting defined health benefits
  申请人：——

  公开号：US20030069202A1

  公开（公告）日：2003-04-10

  The present invention is directed to compositions comprising: (a) a first component selected from the group consisting of gelatin, cartilage, aminosugars, glycosaminoglycans, methylsulfonylmethane, precursors of methylsulfonylmethane, S-adenosylmethionine, salts thereof, and mixtures thereof; and (b) a second component comprising: (i) a cation source selected from the group consisting of calcium, potassium, magnesium, and mixtures thereof; and (ii) an edible acid source. The present invention is further directed to food, beverage, pharmaceutical, over-the- counter, and dietary supplement products, which comprise the present compositions. The invention also relates to kits comprising the present compositions and information that use of the composition promotes one or more of the presently defined health benefits, including joint health, bone health, cardiac health, and anti-inflammation. The present invention additionally relates to methods of treating joint function, bone function, cardiac function, or inflammation comprising administering to a mammal a composition as defined herein.

  本发明涉及包括以下组分的组合物：(a)从明胶、软骨、氨基糖、糖胶质、甲基磺酰甲烷、甲基磺酰甲烷的前体、S-腺苷甲硫氨酸、其盐和其混合物中选择的第一组分; 和(b)包括：(i)从钙、钾、镁和其混合物中选择的阳离子源; 和(ii)可食用的酸源的第二组分。本发明还涉及包含本组合物的食品、饮料、制药、非处方药和膳食补充剂产品。本发明还涉及包含本组合物和使用该组合物促进当前定义的健康益处之一或多个的信息的套件。本发明还涉及治疗关节功能、骨功能、心脏功能或炎症的方法，包括向哺乳动物投与本文所定义的组合物。
• Beverage compositions comprising arabinogalactan and defined vitamins
  申请人：The Procter & Gamble Co.

  公开号：US20020110632A1

  公开（公告）日：2002-08-15

  The present invention is directed to compositions comprising: a) a first component which is arabinogalactan; and b) a second component comprising two or more vitamins selected from the group consisting of vitamin A, vitamin C, vitamin D, vitamin E, and B-complex vitamins. In an alternative embodiment of the present invention, the compositions comprise: a) a first component which is arabinogalactan; and b) a second component comprising one or more vitamins selected from the group consisting of vitamin A, vitamin D, and vitamin E. The present compositions are useful to provide beverages which increase the solubility of fat-soluble vitamins, and deliver the benefits of fiber, one or more of the defined vitamins, and/or provide other health benefits, including fighting infection, promoting healthy bacteria, and providing a desired dietary fiber benefit. Additionally, the present invention provides beverage compositions having excellent taste, and other organoleptic properties, despite the inclusion of the fiber and vitamin components. These and other benefits of the present invention are described herein.

  本发明涉及包括：a）阿拉伯半乳糖和b）由维生素A、维生素C、维生素D、维生素E和B族维生素中选择两种或更多种组成的第二组分的组合物。在本发明的另一实施例中，组合物包括：a）阿拉伯半乳糖和b）由维生素A、维生素D和维生素E中选择一种或多种组成的第二组分。本组合物有助于提供增加脂溶性维生素溶解度的饮料，并提供纤维、一个或多个定义的维生素的益处和/或提供其他健康益处，包括抗感染、促进健康细菌和提供所需的膳食纤维益处。此外，本发明提供了具有出色口感和其他感官特性的饮料组合物，尽管包括纤维和维生素成分。本发明的其他优点在此描述。
• Beverage compositions comprising palatable calcium and magnesium sources
  申请人：——

  公开号：US20020122847A1

  公开（公告）日：2002-09-05

  The present invention describes compositions comprising a calcium source and a magnesium source. The compositions are surprisingly palatable when delivered in a fruit juice beverage matrix at amounts which are nutritionally meaningful. In particular, the present invention relates to beverage compositions comprising: (a) a calcium source comprising a form selected from calcium carbonate, solubilized species thereof, and mixtures thereof; (b) at least about 20 milligrams of a magnesium source per reference serving of the composition; wherein the compositions are substantially free of milk base solids. In an another embodiment of the present invention, beverage compositions are described, comprising: (a) at least about 50 milligrams of a calcium source per reference serving of the composition; (b) at least about 20 milligrams of a magnesium source per reference serving of the composition, wherein the magnesium source comprises a form selected from magnesium carbonate, magnesium oxide, magnesium citrate, solubilized species thereof, and mixtures thereof; wherein the compositions are substantially free of milk base solids.

  本发明描述了包含钙源和镁源的组合物。当以营养意义的数量在果汁饮料基质中提供时，这些组合物的口感令人惊讶地可口。特别地，本发明涉及饮料组合物，包括：(a)一种钙源，其形式选择自碳酸钙、其可溶性物种和它们的混合物；(b)每个参考份量的组合物至少约20毫克的镁源；其中，这些组合物基本上不含奶基固体。在本发明的另一实施例中，描述了饮料组合物，包括：(a)每个参考份量的组合物至少约50毫克的钙源；(b)每个参考份量的组合物至少约20毫克的镁源，其中，镁源包括从碳酸镁、氧化镁、柠檬酸镁、其可溶性物种和它们的混合物中选择的形式；其中，这些组合物基本上不含奶基固体。