盐酸西布曲明 | 84485-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 盐酸西布曲明
• 中文别名: 西布曲明盐酸盐；N-[1-[1-(4-氯苯基)环丁基]-3-甲基丁基]-N,N-二甲胺一水盐酸盐；(±)N-(1-(1-(4-氯苯基)环丁基)-3-甲基丁基)-N,N-二甲胺盐酸盐
• 英文名称: sibutramine hydrochloride
• 英文别名: N,N-dimethyl-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride；(±)-1-(p-chlorophenyl)-α-isobutyl-N,N-dimethylcyclobutanemethylamine hydrochloride；1-(4-chlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)-cyclobutanemethanamine hydrochloride；(+/-)-N-{1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}-N,N-dimethylamine hydrochloride；N-[1-(1-(4-chlorophenyl)cyclobutyl)-3-methylbutyl]-N,N-dimethylamine hydrochloride；[1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylazanium;chloride
• CAS: 84485-00-7
• 化学式: C₁₇H₂₆ClN*ClH
• 分子量: 316.314
• InChiKey: UWAOJIWUVCMBAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  3.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  盐酸西布曲明 在 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 0.25h， 以93%的产率得到西布曲明
  参考文献：
  名称：

  [EN] SIBUTRAMINE FREE BASE IN CRYSTALLINE FORM AND ITS PHARMACEUTICAL USE
  [FR] BASE LIBRE DE SIBUTRAMINE SOUS FORME CRISTALLINE ET UTILISATION PHARMACEUTIQUE DE CELLE-CI

  摘要：

  西布曲明，N- {1- [1- (4-氯苯基) 环丁基] -3-甲基丁基} -N，N-二甲基胺，以晶体形式存在的自由基，含有其的组合物和其用途。

  公开号：

  WO2004099119A1
• 作为产物：
  描述：

  1-(1-四氯苯基)-3-甲基-1-丁胺 在 盐酸 、 聚合甲醛 、 甲酸 作用下， 以 水 为溶剂， 生成 盐酸西布曲明
  参考文献：
  名称：

  A Study and Identification of Potential By-Products of Sibutramine

  摘要：

  In the synthesis and process development of sibutramine (9), the isolation and characterization of two potential by-products namely heptane dinitriles (4a-b) and bis-cyclobutyl alkylamine (10) have been studied, The key steps in the synthesis of sibutramine which have contributed to the formation of above by-products are cycloalkylation of 4-chlorophenyl acetonitrile (1) and tandem Grignard reduction on 1-(4-chlorophenyl) cyclobutyl carbonitrile (3).

  DOI：

  10.1021/op980093t

文献信息

• SELF-ASSEMBLY OF THERAPEUTIC AGENT-PEPTIDE NANOSTRUCTURES
  申请人：Ohio State Innovation Foundation

  公开号：US20140155577A1

  公开（公告）日：2014-06-05

  Disclosed are conjugates of hydrophobic drugs linked to protected or unprotected amino acids or peptides. The disclosed conjugates are amphiphilic and can self assemble into nanotubes. Nanotubes comprising the conjugates are also described and can have high loading of the drug and protect it from degradation or elimination. The nanotubes are well suited to deliver hydrophobic and unstable drugs to individuals.

  揭示了与受保护或未受保护的氨基酸或肽连接的疏水药物的共轭物。所述的共轭物是两性的，可以自组装成纳米管。还描述了包含这些共轭物的纳米管，可以具有高药物载荷并保护药物免受降解或排泄。这些纳米管非常适合向个体输送疏水和不稳定的药物。
• BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS
  申请人：Fang Jing

  公开号：US20100029650A1

  公开（公告）日：2010-02-04

  The present invention relates to novel compounds that are useful in the treatment of metabolic disorders, particularly type II diabetes mellitus and related disorders, and also to the methods for the making and use of such compounds.

  本发明涉及一种新型化合物，该化合物在治疗代谢性疾病，特别是Ⅱ型糖尿病及相关疾病方面具有用途，并且还涉及制备和使用这种化合物的方法。
• [EN] PRODRUG COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT ET PROCÉDÉS DE TRAITEMENT
  申请人：AQUESTIVE THERAPEUTICS INC

  公开号：WO2021087359A1

  公开（公告）日：2021-05-06

  Pharmaceutical compositions include a prodrug of epinephrine are described.

  药物组合物包括表述的肾上腺素前药。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• Compositions and methods for inhibiting pain
  申请人：Bergeron J. Raymond

  公开号：US20060160905A1

  公开（公告）日：2006-07-20

  A method and pharmaceutical composition for ameliorating pain in a human or non-human mammal suffering therefrom based on an antinociceptive amine having the formula: wherein: Z is H or OH, is phenyl or cyclohexyl, R and R 1 are the same or different and may be H or linear or branched chain alkyl having 1 to 8 carbon atoms, m is an integer from 0 to 10, inclusive and wherein the amine exhibits a mean reduction in abdominal writhings exhibited by mice in the standard acetic acid-induced visceral pain mouse model of at least 20%; a mixture of the amines; a derivative, salt or complex of the amine wherein the derivative, salt or complex former is physiologically acceptable and the formation of said salt, derivative or complex does not materially affect the pain amelioration properties of the amine; a mixture of the derivatives, salts and/or complexes or a prodrug that provides the amine, mixture of the amines, the derivative, salt or complex, or a mixture of the derivatives, salts and/or complexes.

  一种用于改善人类或非人类哺乳动物疼痛的方法和药物组合物，基于具有以下结构的抗痛胺：其中：Z为H或OH，是苯基或环己基，R和R1相同或不同，可以是H或线性或支链烷基，碳原子数为1到8，m为0到10的整数，其中该胺在标准乙酸诱导腹部疼痛小鼠模型中表现出的腹部扭曲平均减少至少20％；一种胺的混合物；该胺的衍生物、盐或复合物，其中所述衍生物、盐或复合物前体在生理上可接受，且所述盐、衍生物或复合物的形成对该胺的疼痛改善性能没有实质影响；衍生物、盐和/或复合物的混合物或提供该胺、胺的混合物、衍生物、盐或复合物的前药，或衍生物、盐和/或复合物的混合物。