7-[2-[4-(2-chlorophenyl)piperazinyl]ethyl]-1,3-dimethylxanthine hydrochloride | 1254041-29-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-[2-[4-(2-chlorophenyl)piperazinyl]ethyl]-1,3-dimethylxanthine hydrochloride
• 英文别名: KMUP-1 HCl；7-[2-[4-(2-chlorophenyl)piperazinyl]ethyl]-1,3-dimethyl-xanthine HCl；7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
• CAS: 1254041-29-6
• 化学式: C₁₉H₂₃ClN₆O₂*ClH
• 分子量: 439.345
• InChiKey: HCYZPWAAAJLBNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.33
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-[2-[4-(2-chlorophenyl)piperazinyl]ethyl]-1,3-dimethylxanthine hydrochloride 、 辛伐他汀 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  USE OF DPAS AND CO-POLYMERS FOR HYPERLIPIDEMIA AND ATHEROSCLEROSIS ALONG WITH REDUCING FEEDING RATE AND ADIPOSE TISSUE WEIGHT OF OBESITY ANIMAL

  摘要：

  本方面披露的二取代哌嗪类似物（DPAs）衍生物化合物和DPAs胺配合物化合物具有改善脂肪分解功能的特性，如抑制肥胖、高脂血症和动脉粥样硬化。

  公开号：

  US20130202549A1
• 作为产物：
  描述：

  1-(2-氯苯基)哌嗪 在 对甲苯磺酸 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙腈 为溶剂， 反应 40.0h， 生成 7-[2-[4-(2-chlorophenyl)piperazinyl]ethyl]-1,3-dimethylxanthine hydrochloride
  参考文献：
  名称：

  [EN] SAA DERIVATIVE COMPOUND RESTORES ENOS AND INHIBITS OXIDATIVE STRESS-INDUCED DISEASES IN HYPOXIA
  [FR] COMPOSÉ DÉRIVÉ DE SAA PERMETTANT LE RÉTABLISSEMENT DE L'ENOS ET INHIBANT LES AFFECTIONS INDUITES PAR LE STRESS OXYDATIF DANS L'HYPOXIE

  摘要：

  所披露的取代胺类似物（SAA）衍生物化合物和SAA复合物化合物被描述为具有抑制由氧化应激引起的疾病的功能的组合物，更特别地是那些能够抑制由氧化应激引起的神经退行性疾病、肺部疾病、氧化应激诱导的心脏疾病和心脏功能障碍的SAA衍生物化合物。

  公开号：

  WO2015161510A1

文献信息

• SYNTHESIS AND PHARMACOKINETIC ACTIVITIES OF PULMODIL AND PULMODIL-1, TWO CHLOROPHENYLPIPERAZINE SALT DERIVATIVES
  申请人：Chen Ing-Jun

  公开号：US20100280040A1

  公开（公告）日：2010-11-04

  A compound including a salt derivative of the chlorophenylpiperazine moiety is provided, wherein the chlorophenylpiperazine moiety is derived from the reaction of a xanthine and a piperazine. The salt derivative thereof is non-toxic to the tracheal smooth muscle cells (TSMCs) and can be intravenously-, orally- or sublingually-dosed into the mammals.

  提供了一种化合物，其中包括氯苯哌嗪基团的盐衍生物，其中氯苯哌嗪基团是由黄嘌呤和哌嗪的反应衍生而来。其盐衍生物对气管平滑肌细胞（TSMCs）无毒，并可通过静脉、口服或舌下给药方式注入哺乳动物体内。
• SAA Derivative Compound Restores eNOS And Inhibits Oxidative Stress-Induced A Diseases In Hypoxia
  申请人：JANSFAT BIOTECHNOLOGY CO., LTD.

  公开号：US20150306107A1

  公开（公告）日：2015-10-29

  The Substituted Amine Analogs (SAA) derivative compounds and SAA complex compounds disclosed in the present invention are characterized as compositions having the functions of inhibiting disorders caused by oxidative stress, and more particularly to those SAA derivative compounds capable of inhibiting disorders caused by oxidative stress because of neurodegenerative diseases, lung diseases, oxidative stress-induced heart disease and carvenosus dysfunction.

  本发明揭示的取代胺类似物（SAA）衍生物化合物和SAA复合物化合物的特征是具有抑制氧化应激引起的疾病的功能，更特别地，是那些能够抑制由于神经退行性疾病、肺部疾病、氧化应激引起的心脏疾病和海绵体功能障碍引起的疾病的SAA衍生物化合物。
• PIPERAZINYL DERIVATIVE REDUCES HIGH-FAT DIET-INDUCED ACCUMULATION OF FAT IN THE LIVERS, THERAPEUTICALLY
  申请人：JANSFAT BIOTECHNOLOGY CO., LTD.

  公开号：US20150359798A1

  公开（公告）日：2015-12-17

  A method for inhibiting a liver disease is provided. The method includes administering a pharmaceutical composition of one of a piperazine analogue and a piperazine analogue complex to a warm-blooded animal suffering from the liver disease.

  提供了一种抑制肝病的方法。该方法包括向患有肝病的温血动物给予一种哌嗪类似物或哌嗪类似物复合物的制药组合物。
• KMUPS INHIBITING PROLIFERATION AND OBLITERATION OF PULMONARY ARTERY
  申请人：CHEN Ing-Jun

  公开号：US20110201618A1

  公开（公告）日：2011-08-18

  An obstructive pulmonary disease inhibiting pharmaceutical composition is provided. The obstructive pulmonary disease inhibiting pharmaceutical composition includes: an effective amount of a compound of formula I, wherein R 2 and R 4 are each selected independently from the group consisting of a C1˜C5 alkoxy group, a hydrogen, a nitro group, and a halogen atom; and a pharmaceutically acceptable carrier.
• INHALED NO DONOR KMUPS DERIVATIVE PREVENTING ALLERGIC PULMONARY VASCULAR AND BRONCHIAL INFLAMMATION VIA SUPPRESSED CYTOKINES, INOS AND INFLAMMATORY CELL COUNTS IN ASTHMA MODEL
  申请人：CHEN Ing-Jun

  公开号：US20130095059A1

  公开（公告）日：2013-04-18

  A method for treating a disease is provided. The method includes steps of: providing a subject in need thereof; and administering one selected from a group consisting of KMUPS compound represented by formula I, a pharmaceutically acceptable salts thereof; and a pharmaceutical composition thereof to the subject in a dosage from 1 to 2.5 milligram per kilogram of body weight, wherein R 2 and R 4 are each selected independently from a group consisting of a C1˜C5 alkoxy group, a hydrogen, a nitro group and a halogen atom.