5-n-propyl-2-(1-piperazinyl)-benzenesulfonic acid

• 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: 5-n-propyl-2-(1-piperazinyl)-benzenesulfonic acid
• 英文别名: 2-(1-piperazinyl)-5-n-propylbenzenesulfonic acid；5-n-propyl-2-(1-piperazinyl) benzenesulfonic acid；5-n-propyl-2-(1-piperazinyl)benzenesulfonic acid；2-piperazin-1-yl-5-propylbenzenesulfonic acid
• 化学式: C₁₃H₂₀N₂O₃S
• 分子量: 284.379
• InChiKey: WMSHKWHKBKWPMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  78
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  盐酸 、 5-n-propyl-2-(1-piperazinyl)-benzenesulfonic acid 在 丙酮 作用下， 以 乙醇 为溶剂， 以to give 51.46 g (yield: 95.4%) of the above title product的产率得到2-(1-piperazinyl)-5-n-propylbenzenesulfonic acid hydrochloride
  参考文献：
  名称：

  Aminobenzenesulfonic acid derivatives

  摘要：

  公开了一种氨基苯磺酸衍生物，其化学式为：##STR1## 其中，R.sub.1代表氢原子、C.sub.1-C.sub.6烷基、C.sub.3-C.sub.7环烷基、C.sub.1-C.sub.4卤代烷基、卤素原子或C.sub.6-C.sub.12芳基基团，R.sub.2代表氢原子、C.sub.1-C.sub.6烷基或C.sub.7-C.sub.12芳基烷基，其可以具有至少一种取自氰基、硝基、C.sub.1-C.sub.6烷氧基、卤素原子、C.sub.1-C.sub.6烷基和氨基的取代基团，n代表1到4的整数，其药学上可接受的盐。

  公开号：

  US05053409A1
• 作为产物：
  描述：

  (p-propylphenyl)urea 在 硫酸 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 21.0h， 生成 5-n-propyl-2-(1-piperazinyl)-benzenesulfonic acid
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASES
  [FR] COMPOSES POUR TRAITEMENT DES MALADIES CARDIO-VASCULAIRES

  摘要：

  含有钠-氢交换型1（NHE-1）抑制剂与Ca2+超载抑制剂的药物组合，以及利用这种组合抑制剂治疗心血管疾病（如缺血），特别是哺乳动物（包括人类）中的围手术期心肌缺血性损伤的用途被披露。

  公开号：

  WO2005079803A1

文献信息

• Remedies and/or preventives for nervous system disorders
  申请人：——

  公开号：US20030114427A1

  公开（公告）日：2003-06-19

  A therapeutic and/or prophylactic agent for nervous system disorder comprising as the active ingredient substances having an effect of improving calcium ion uptake of cardiac sarcoplasmic reticulum and/or an effect of inhibiting overaccumulation of intracellular calcium ions is offered. Preferably, the therapeutic and/or prophylactic agent for disease selected from the group consisting of cerebrovascular disease, traumatic head injury and postencephalitis and the therapeutic and/or prophylactic agent for disease selected from the group consisting of dementia and neuronal degeneration disease are offered.

  提供一种神经系统疾病的治疗和/或预防药物，其活性成分包括具有改善心脏肌浆网钙离子摄取作用和/或抑制细胞内钙离子过度积累作用的物质。优选地，提供用于治疗和/或预防脑血管疾病、创伤性头部损伤和脑炎后综合症的药物，以及用于治疗和/或预防痴呆和神经退行性疾病的药物。
• PHARMACEUTICAL PREPARATIONS CONTAINING AMINOBENZENE-SULFONIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1419775A1

  公开（公告）日：2004-05-19

  A stable pharmaceutical preparation containing an aminobenzenesulfonic acid derivative represented by the following formula (I) known as a therapeutic agent for cardiac insufficiency: or a salt thereof, or a hydrate thereof or a solvate thereof as an active ingredient, wherein each production of substance A having a retention time of about 6.4 minutes in a high performance liquid chromatography, substance B having a retention time of about 15.6 minutes in the high performance liquid chromatography, and substance C having about 22.8 minutes in the high performance liquid chromatography is substantially suppressed, wherein said high performance liquid chromatography is performed at a controlled flow rate for elution so as to give a retention time of about 7 minutes of said active ingredient by using an ultraviolet absorptiometer at 220 nm, an octylsilylated silica gel packed column (4 mm x 250 mm) at 40°C, and a mobile phase prepared by dissolving 7.8 g of sodium dihydrogenphosphate dihydrate in 1000 mL of a mixture of water/acetonitrile (6:1) after said pharmaceutical preparation is extracted with a diluent prepared by dissolving 7.8 g of sodium dihydrogenphosphate dihydrate in 1000 mL of a mixture of water/acetonitrile (6:1) and adjusting a pH to 7.0 with addition of 8 mol/L sodium hydroxide solution.

  一种稳定的药物制剂，包含下式（I）所代表的氨基苯磺酸衍生物作为治疗心力衰竭的治疗剂：或其盐、或其水合物、或其溶剂化物作为活性成分。其中，通过高效液相色谱法，使用220nm的紫外吸收计，在40°C下使用一个八氧基硅烷化硅胶填充柱（4mm x 250mm）和由将7.8克二氢磷酸钠二水合物溶解在1000毫升水/乙腈混合物（6:1）中制备的流动相，在控制的洗脱流速下，使得该活性成分的保留时间约为7分钟，且实质上抑制了保留时间约为6.4分钟的A物质、保留时间约为15.6分钟的B物质和保留时间约为22.8分钟的C物质。在制备该药物制剂后，使用将7.8克二氢磷酸钠二水合物溶解在1000毫升水/乙腈混合物（6:1）中制备的稀释剂，并加入8摩尔/升的氢氧化钠溶液调节pH至7.0后进行提取。
• Method for producing (hydroxyalkyl)alicyclic carboxylic acids and intermediates therefor
  申请人：Nippon Shokubai Co., Ltd.

  公开号：EP1043304A1

  公开（公告）日：2000-10-11

  (Acyloxyalkyl)aromatic carboxylic acids are produced by partial oxidation of an alkyl-substituted aromatic compound of the general formula         CHR1R2 - Ar - (R3)n     (1)    in which Ar is an aromatic ring; R1 is H or alkyl having 1 to 3 carbon atoms; R2 is H, alkyl having 1 to 3 carbon atoms or -OCOR5; R3 is alkyl having 1 to 4 carbon atoms, -COOH, -CHO, -CH2R4 or -COOR5; n is an integer from 1 to 5; R4 is halogen, -OH or -OCOR5; and R5 is alkyl having 1 to 4 carbon atoms, and a carboxylic acid in the presence of oxygen and a catalyst including an element of Group VIII of the Periodic Table. (Hydroxyalkyl)alicyclic carboxylic acids are produced by hydrolysis/hydrogenation or hydrogenation/hydrolysis of the (acyloxyalkyl) aromatic carboxylic acids.

  (酰氧基烷基)芳香族羧酸是通过部分氧化通式如下的烷基取代的芳香族化合物制得的 CHR1R2 - Ar - (R3)n (1) 其中 Ar 是芳香环；R1 是 H 或具有 1 至 3 个碳原子的烷基；R2 是 H、具有 1 至 3 个碳原子的烷基或 -OCOR5；R3 是具有 1 至 4 个碳原子的烷基、-COOH、-CHO、-CH2R4 或 -COOR5；n 是 1 至 5 的整数；R4 是卤素、-OH 或 -OCOR5；R5 是具有 1 至 4 个碳原子的烷基，以及一种羧酸，在氧和包括元素周期表第八族元素的催化剂存在下进行部分氧化。(羟烷基)脂环族羧酸是通过(酰氧基烷基)芳香族羧酸的水解/加氢或氢化/水解制得的。
• REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1374868A1

  公开（公告）日：2004-01-02

  An agent for therapeutic and /or prophylactic treatment of heart failure or arrhythmia in diabetic ischemic heart disease, which comprises as an active ingredient an aminobenzenesulfonic acid derivative represented by the following general formula (I): (wherein R1 represents, for example, hydrogen atom; R2 represents, for example, hydrogen atom; and n represents an integer of from 1 to 4) or a salt thereof, or a hydrate thereof or a solvate thereof, and an agent for therapeutic and /or prophylactic treatment of diabetic ischemic heart disease wherein said agent improves a cardiac dysfunction in diabetic ischemic heart disease.

  一种用于治疗和/或预防糖尿病缺血性心脏病的心力衰竭或心律失常的制剂，其活性成分包括由下通式(I)代表的氨基苯磺酸衍生物： (其中 R1 代表氢原子；R2 代表氢原子；n 代表 1 至 4 的整数）或其盐、或其水合物或其溶液，以及用于治疗和/或预防糖尿病缺血性心脏病的制剂，其中所述制剂可改善糖尿病缺血性心脏病的心功能障碍。
• MEDICINE FOR PREVENTION AND/OR TREATMENT OF ISCHEMIC CIRCULATORY DISEASE
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1723955A1

  公开（公告）日：2006-11-22

  A medicament for preventing and/or treating an ischemic cardiovascular disease, which contains as an active ingredient a compound of an aminobenzenesulfonic acid derivative represented by the following general formula (I): (refer to the description for the symbols in the formula) or a salt thereof, or a hydrate or solvate thereof, characterized in that it is administered to a patient undergoing percutaneous coronary intervention.

  一种用于预防和/或治疗缺血性心血管疾病的药物，其活性成分包含由下式通式 (I) 代表的氨基苯磺酸衍生物化合物： (式中的符号参见说明）或其盐，或其水合物或溶液，其特征在于它是给接受经皮冠状动脉介入治疗的病人服用的。