2-butyl-4-chloro-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride | 913611-26-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-butyl-4-chloro-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride
• 英文别名: 2-butyl-4-chloro-1-[(2'-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic Acid Hydrochloride；2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydrochloride
• CAS: 913611-26-4
• 化学式: C₂₂H₂₁ClN₆O₂*ClH
• 分子量: 473.362
• InChiKey: MQEYGHYUCYCJDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.89
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-butyl-4-chloro-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride 在 水 作用下， 反应 72.0h， 生成 2-butyl-4-chloro-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid monohydrate
  参考文献：
  名称：

  WO2006/115834

  摘要：

  公开号：
• 作为产物：
  描述：

  氯沙坦 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 生成 2-butyl-4-chloro-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride
  参考文献：
  名称：

  WO2006/115834

  摘要：

  公开号：

文献信息

• Use of valsartan or its metabolite to inhibit platelet aggregation
  申请人：Malinin Alex

  公开号：US20050197372A1

  公开（公告）日：2005-09-08

  The invention relates to a method of inhibiting platelet aggregation comprising administering a therapeutically effective amount of an ARB or its metabolite, especially Valsartan or its metabolite valeryl 4-hydroxy valsartan. Conditions to be treated by inhibition of platelet aggregation include acute myocardial infarction, ischemic stroke, angina pectoris, acute coronary syndromes, TIA (transient ischemic attacks, or acute cerebrovascular syndromes), heart failure, chest pain of ischemic etiology, syndrome X, thromboembolism, pulmonary hypertension, diabetes mellitus, peripheral vascular disease, deep vein thrombosis, arterial thrombosis of any vessel, catheter thrombotic occlusion or reocclusion.

  本发明涉及一种抑制血小板聚集的方法，包括给予治疗有效量的ARB或其代谢物，特别是Valsartan或其代谢物valeryl 4-hydroxy valsartan。需要通过抑制血小板聚集来治疗的疾病包括急性心肌梗塞、缺血性卒中、心绞痛、急性冠状动脉综合症、短暂性脑缺血发作（TIA，或急性脑血管综合征）、心力衰竭、缺血性胸痛、X综合症、血栓栓塞、肺动脉高压、糖尿病、周围血管疾病、深静脉血栓形成、任何血管的动脉血栓形成、导管血栓闭塞或再闭塞。
• Angiotensin II Receptor Antagonists
  申请人：Alani Laman L.

  公开号：US20090123538A1

  公开（公告）日：2009-05-14

  The compounds of the present invention are polymorphic crystalline forms of the compound 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid, which has the structure (I). Specifically, the compounds of the invention are selected from the group consisting of 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid of Claim 3 selected from the group consisting of 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride Form I, 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride Form II, 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid hydrochloride Form III, and 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid monohydrate Form IV, 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid monohydrate Form V, 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid monohydrate Form VI, 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid monohydrate Form VII, and 2-butyl-4-chloro-1-[(2′-(1-H-tetrazol-5-yl)biphenyl-4-yl)methyl]-imidazole-5-carboxylic acid monohydrate Form VIII.

  本发明的化合物是化合物2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸的多形晶体形式，其结构式为（I）。具体而言，本发明的化合物是从以下组中选择的化合物：权利要求3中选自以下组的2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸盐酸盐I型，2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸盐酸盐II型，2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸盐酸盐III型，2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸单水合物IV型，2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸单水合物V型，2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸单水合物VI型，2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸单水合物VII型和2-丁基-4-氯-1-[(2′-(1-H-四唑-5-基)联苯-4-基)甲基]-咪唑-5-羧酸单水合物VIII型。
• USE OF VALSARTAN OR ITS METABOLITE TO IN HIBIT PLATELET AGGREGATION
  申请人：Malinin Alex

  公开号：US20100048654A1

  公开（公告）日：2010-02-25

  The invention relates to a method of inhibiting platelet aggregation comprising administering a therapeutically effective amount of an ARB or its metabolite, especially Valsartan or its metabolite valeryl 4-hydroxy valsartan. Conditions to be treated by inhibition of platelet aggregation include acute myocardial infarction, ischemic stroke, angina pectoris, acute coronary syndromes, TIA (transient ischemic attacks, or acute cerebrovascular syndromes), heart failure, chest pain of ischemic etiology, syndrome X, thromboembolism, pulmonary hypertension, diabetes mellitus, peripheral vascular disease, deep vein thrombosis, arterial thrombosis of any vessel, catheter thrombotic occlusion or reocclusion.

  本发明涉及一种抑制血小板聚集的方法，包括给予治疗有效量的ARB或其代谢物，特别是Valsartan或其代谢物Valeryl 4-羟基Valsartan。通过抑制血小板聚集来治疗的疾病包括急性心肌梗死、缺血性卒中、心绞痛、急性冠状动脉综合征、TIA（短暂性缺血性发作，或急性脑血管综合征）、心力衰竭、缺血性胸痛、X综合征、血栓栓塞、肺动脉高压、糖尿病、外周血管疾病、深静脉血栓形成、任何血管的动脉血栓形成、导管血栓性闭塞或再闭塞。
• USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION
  申请人：Novartis AG

  公开号：EP1505965A1

  公开（公告）日：2005-02-16
• [EN] USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION<br/>[FR] UTILISATION DE VALSARTAN OU DE SON METABOLITE POUR INHIBER L'AGREGATION PLAQUETTAIRE
  申请人：NOVARTIS AG

  公开号：WO2003094915A1

  公开（公告）日：2003-11-20

  The invention relates to a method of inhibiting platelet aggregation comprising administering a therapeutically effective amount of an ARB or its metabolite, especially Valsartan or its metabolite valeryl 4-hydroxy valsartan. Conditions to be treated by inhibition of platelet aggregation include acute myocardial infarction, ischemic stroke, angina pectoris, acute coronary syndromes, TIA (transient ischemic attacks, or acute cerebrovascular syndromes), heart failure, chest pain of ischemic etiology, syndrome X, thromboembolism, pulmonary hypertension, diabetes mellitus, peripheral vascular disease, deep vein thrombosis, arterial thrombosis of any vessel, catheter thrombotic occlusion or reocclusion.