苯磺酸,2-(1-哌嗪基)-5-(三氟甲基)- | 133804-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 苯磺酸,2-(1-哌嗪基)-5-(三氟甲基)-
• 英文名称: 5-trifluoromethyl-2-(1-piperazinyl)-benzenesulfonic acid
• 英文别名: 2-(1-piperazinyl)-5-trifluoromethylbenzenesulfonic acid；Benzenesulfonic acid, 2-(1-piperazinyl)-5-(trifluoromethyl)-；2-piperazin-1-yl-5-(trifluoromethyl)benzenesulfonic acid
• CAS: 133804-45-2
• 化学式: C₁₁H₁₃F₃N₂O₃S
• 分子量: 310.297
• InChiKey: CBXCENINGXRLJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  78
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASES<br/>[FR] COMPOSES POUR TRAITEMENT DES MALADIES CARDIO-VASCULAIRES
  申请人：PFIZER PROD INC

  公开号：WO2005079803A1

  公开（公告）日：2005-09-01

  Pharmaceutical compositions containing sodium-hydrogen exchanger type 1 (NHE-1) inhibitors in combination with Ca 2+ overload inhibitors, and the use of such combination inhibitors to treat, for example, cardiovascular disease, such as ischemia, particularly, perioperative myocardial ischemic injury in mammals, including humans, are disclosed.

  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。
• 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。
• 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。