托巴茶碱 | 105102-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 托巴茶碱
• 英文名称: Torbafylline
• 英文别名: 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione
• CAS: 105102-21-4
• 化学式: C₁₆H₂₆N₄O₄
• 分子量: 338.4
• InChiKey: QSXXLDDWVCEBFP-UHFFFAOYSA-N

物化性质

• 沸点：
  534.7±60.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-ethoxymethyl-3-methylxanthine 、 1-Chlor-5-methyl-5-hexanol 在 1-Chlor-5-methyl-5-hexanol 作用下， 以83.3的产率得到托巴茶碱
  参考文献：
  名称：

  Tertiary hydroxyalkylxanthines, medicaments containing them and their use

  摘要：

  具有一般式（I）的三级羟基烷基黄嘌呤，其特征在于至少有一个残基R.sup.1和R.sup.3表示为以下式子（Ia）的三级羟基烷基：其中R.sup.4表示具有2到5个整数的碳数为3的烷基，另一个残基可以是R.sup.1或R.sup.3，它是氢原子或具有最多6个碳原子的脂肪烃基R.sup.5，其中碳链可以最多由两个氧原子分开或被氧化基或最多两个羟基取代，R.sup.2表示具有1到4个碳原子的烷基。还描述了制造这些化合物的过程，这些化合物适用于制造药物，特别是用于预防和/或治疗周围和/或脑灌注障碍。

  公开号：

  US04833146A1

文献信息

• Nitrosated and nitrosylated diuretic compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20050059655A1

  公开（公告）日：2005-03-17

  The invention describes novel nitrosated and/or nitrosylated diuretic compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated diuretic compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one diuretic compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating conditions resulting from excessive water and/or electrolyte retention; (b) treating cardiovascular diseases; (c) treating renovascular diseases; (d) treating diabetes; (e) treating diseases resulting from oxidative stress; (f) treating endothelial dysfunctions; (g) treating diseases caused by endothelial dysfunctions; (h) treating cirrhosis; (j) treating pre-eclampsia; (k) treating osteoporosis; and (l) treating nephropathy.

  该发明描述了新颖的亚硝基化和/或亚硝酰化利尿化合物或其药用盐，以及包含至少一种亚硝基化和/或亚硝酰化利尿化合物的新型组合物，以及可选地至少一种一氧化氮供体和/或至少一种治疗剂。该发明还提供了包含该发明中至少一种利尿化合物的新型组合物和试剂盒，该利尿化合物可选择地亚硝基化和/或亚硝酰化，并且可选地至少一种一氧化氮供体化合物和/或至少一种治疗剂。该发明还提供了用于(a)治疗由于过多水分和/或电解贮留引起的疾病；(b)治疗心血管疾病；(c)治疗肾血管疾病；(d)治疗糖尿病；(e)治疗由氧化应激引起的疾病；(f)治疗内皮功能障碍；(g)治疗由内皮功能障碍引起的疾病；(h)治疗肝硬化；(j)治疗子痫前期；(k)治疗骨质疏松症；和(l)治疗肾病的方法。
• Nitric oxide enhancing diuretic compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20060189603A1

  公开（公告）日：2006-08-24

  The invention describes novel compositions and kits comprising at least one nitric oxide enhancing diuretic compound, or pharmaceutically acceptable salts thereof, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating conditions resulting from excessive water and/or electrolyte retention; (b) treating cardiovascular diseases; (c) treating renovascular diseases; (d) treating diabetes; (e) treating diseases resulting from oxidative stress; (f) treating endothelial dysfunctions; (g) treating diseases caused by endothelial dysfunctions; (h) treating cirrhosis; (j) treating pre-eclampsia; (k) treating osteoporosis; (l) treating nephropathy; (m) treating peripheral vascular diseases; (n) treating portal hypertension; (o) treating central nervous system disorders; (p) treating metabolic syndrome; (q) treating sexual dysfunctions; and (r) hyperlipidemia. The nitric oxide enhancing diuretic compounds comprise at least one nitric oxide enhancing group linked to the diuretic compound through one or more sites such as carbon, oxygen and/or nitrogen via a bond or moiety that cannot be hydrolyzed.

  该发明描述了包含至少一种增强一氧化氮利尿化合物或其药用盐的新型组合物和试剂盒，以及可选地，至少一种增强一氧化氮化合物和/或至少一种治疗剂的试剂盒。该发明还提供了以下方法：(a)治疗由过多水分和/或电解贮留引起的症状；(b)治疗心血管疾病；(c)治疗肾血管疾病；(d)治疗糖尿病；(e)治疗由氧化应激引起的疾病；(f)治疗内皮功能障碍；(g)治疗由内皮功能障碍引起的疾病；(h)治疗肝硬化；(j)治疗子痫前期；(k)治疗骨质疏松症；(l)治疗肾病；(m)治疗外周血管疾病；(n)治疗门静脉高压；(o)治疗中枢神经系统疾病；(p)治疗代谢综合征；(q)治疗性功能障碍；以及(r)高脂血症。增强一氧化氮利尿化合物包括至少一种增强一氧化氮基团，通过碳、氧和/或氮等一个或多个位点与利尿化合物连接，连接通过不能水解的键或基团。
• Preparations for topical administration of substances having antiandrogenic activity
  申请人：——

  公开号：US20030229129A1

  公开（公告）日：2003-12-11

  A preparation comprising at least one form of lipid nanoparticles or a nanoemulsion comprising at least one compound of the formula I 1 and/or one stereoisomeric form of the compound of the formula I and/or one physiologically tolerated salt of the compound of the formula I, in which R1 is —(C 5 -C 17 )-alkyl or —(C 5 -C 17 )-alkenyl, is suitable for the treatment of androgenic alopecia, of hirsutism, that is to say to prevent unwanted hair growth, and for the treatment of seborrhea and acne and can furthermore be employed in cosmetics.

  一种制剂，包括至少一种脂质纳米粒子形式或者包括式I中至少一种化合物的纳米乳液 1 和/或式I中化合物的立体异构形式和/或式I中化合物的生理耐受盐中的至少一种，其中R1为—(C 5 -C 17 )-烷基或—(C 5 -C 17 )-烯基，适用于治疗雄激素性脱发、多毛症，即预防不必要的毛发生长，以及治疗脂溢和痤疮，并且还可用于化妆品中。
• [EN] NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE<br/>[FR] COMPOSÉ D'ESTER D'ACIDE AMINÉ LIBÉRANT UN OXYDE NITRIQUE, COMPOSITION ET  PROCÉDÉ D'UTILISATION
  申请人：ORAL DELIVERY TECHNOLOGY LTD

  公开号：WO2010034118A1

  公开（公告）日：2010-04-01

  There is provided amino acid ester compounds comprising at least one nitric oxide releasing group, pharmaceutically acceptable salts thereof and compositions thereof. These compounds involve an amino acid side-chain or an amino acid derivative thereof and a nitric oxide releasing group as depicted in the following structures: wherein R1 is either an ethyl or an amino acid side-chain group or an amino acid derivative thereof and R2 is an amino acid side-chain group or an amino acid derivative thereof and n is an integer from 1 to 10.

  提供的氨基酸酯化合物包括至少一个释放一氧化氮基团的化合物，其药学上可接受的盐和组合物。这些化合物涉及氨基酸侧链或其衍生物以及释放一氧化氮基团，如下面的结构所示：其中R1是乙基或氨基酸侧链基团或其衍生物，R2是氨基酸侧链基团或其衍生物，n是从1到10的整数。
• [EN] 7-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME<br/>[FR] COMPOSÉS MODULATEURS DU RÉCEPTEUR DES OPIOÏDES DELTA CONTENANT DES HÉTÉROCYCLES AZA À 7 CHAÎNONS, ET LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
  申请人：TREVENA INC

  公开号：WO2018152286A1

  公开（公告）日：2018-08-23

  The present embodiments are directed, in part, to compounds, or pharmaceutically acceptable salts thereof, or pharmaceutical compositions thereof for modulating the activity of delta opioid receptor, biased and/or unbiased, and/or methods for treating pain, migraines, headaches, depression, Parkinsons Disease, anxiety, and/or overactive bladder, and other disorders and conditions described herein or any combination thereof.

  本实施例部分涉及化合物、其药用盐，或用于调节δ阿片受体活性的药物组合物，包括有偏倚和/或无偏倚的组合物，以及用于治疗疼痛、偏头痛、头痛、抑郁症、帕金森病、焦虑症、过度活跃膀胱以及其他在本文中描述的紊乱和症状的方法，或其中的任何组合。