钠3-[4-[(4-氯苯基)磺酰基氨基]丁基]-6-丙-2-基薁e-1-磺酸酯 | 129648-96-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 中文名称: 钠3-[4-[(4-氯苯基)磺酰基氨基]丁基]-6-丙-2-基薁e-1-磺酸酯
• 英文名称: 3-<4-(4-chlorobenzenesulfonylamino)butyl>-6-isopropylazulene-1-sulfonate
• 英文别名: KT2-962；3-(4-(((4-chlorophenyl)sulfonyl)amino)butyl)-6-(1-methylethyl)-1-azulenesulfonic acid monosodium salt；6-Isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt；sodium;3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonate
• CAS: 129648-96-0
• 化学式: C₂₃H₂₅ClNO₅S₂*Na
• 分子量: 518.03
• InChiKey: QIBQVFYOTMPEIP-UHFFFAOYSA-M

物化性质

• 熔点：
  201 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  钠3-[4-[(4-氯苯基)磺酰基氨基]丁基]-6-丙-2-基薁e-1-磺酸酯 在 四丁基氢氧化铵 、 氧气 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 为溶剂， 反应 72.0h， 生成 3-[4-(4-Chloro-benzenesulfonylamino)-butyl]-6-(1-hydroxy-1-methyl-ethyl)-azulene-1-sulfonic acid butyl ester
  参考文献：
  名称：

  Azulene derivatives as TXA2/PGH2 receptor antagonists—II. Synthesis and biological activity of 6-mono- and 6-dihydroxylated-isopropylazulenes

  摘要：

  In order to examine the correlation between activity and hydrophilicity of the side chain of sodium 3-[4-(4-chlorobenzenesulfonylamino)butyl]-6-isopropylazulene-1-sulfonate (KT2-962), a non-prostanoid TXA(2)/PGH(2) receptor antagonist, one or two hydroxyl groups were introduced into the isopropyl moiety. A series of 6-hydroxylated-isopropylazulenes were synthesized by regioselective oxidation of 6-isopropylazulenes and their in vitro and in vivo antagonistic activities were studied. Both the primary and tertiary alcohols, monohydroxylated derivatives, exhibited potent biological activities comparable to unmodified 6-isopropylazulenes both in vitro and in vivo. In contrast, the activities of 1,2- and 1,3-diols of 6-substituted derivatives, markedly decreased, but recovered by O-isopropylidenation of the dihydroxyl moiety. These findings indicate that the moderate hydrophobicity of substituent at the 6-position of the azulene ring might be required for the activity and the size of the substituent at this position, not so rigid for keeping potent biological activity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00038-7
• 作为产物：
  描述：

  4-chloro-N-[4-(6-propan-2-ylazulen-1-yl)butyl]benzenesulfonamide 在 sodium methylate 、 三氧化硫吡啶 作用下， 生成 钠3-[4-[(4-氯苯基)磺酰基氨基]丁基]-6-丙-2-基薁e-1-磺酸酯
  参考文献：
  名称：

  Azulene衍生物：新型非前列腺素血栓烷A2受体拮抗剂。

  摘要：

  DOI：

  10.1021/jm00171a004

文献信息

• AGENT FOR PREVENTION AND DEPRESSION OF DRY COUGHING CAUSED BY ANGIOTENSIN CONVERTING ENZYME INHIBITORS
  申请人：KISSEI PHARMACEUTICAL CO., LTD.

  公开号：EP0875254A1

  公开（公告）日：1998-11-04

  The present invention is to provide an agent for the prevention and depression of dry coughing caused by angiotensin converting enzyme inhibitors which comprises a thromboxane synthetase inhibitor or thromboxane receptor antagonist as the active ingredient. Administering the drug is effective in preventing and depressing dry coughing caused by angiotensin converting enzyme inhibitors. For example, the use of the drug in combination with ozagrel hydrochloride was found to be effective in significantly dry coughing in hypertonic patients suffering from dry coughing attributable to the administration of captopril.

  本发明旨在提供一种预防和抑制由血管紧张素转换酶抑制剂引起的干咳的药物，其活性成分包括血栓素合成酶抑制剂或血栓素受体拮抗剂。服用该药物可有效预防和抑制血管紧张素转换酶抑制剂引起的干咳。例如，对于因服用卡托普利而引起干咳的高渗患者，将该药物与盐酸奥扎格雷联合使用可有效明显缓解干咳。
• Thromboxane inhibitors, compositions and methods of use
  申请人：——

  公开号：US20030050305A1

  公开（公告）日：2003-03-13

  The present invention describes methods for treating or preventing sexual dysfunctions in males and females, and for enhancing sexual responses in males and females by administering a therapeutically effective amount of at least one thromboxane inhibitor, and, optionally, at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase, and/or at least one vasoactive agent. The male or female may preferably be diabetic. The present invention also provides novel compositions comprising at least one thromboxane inhibitor, and, at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase, and, optionally, at least one therapeutic agent, such as, vasoactive agents, nonsteroidal antiinflanmmatory compounds (NSAIDs), selective cyclooxygenase-2 (COX-2) inhibitors, anticoagulants, angiotensin converting enzymes (ACE) inhibitors, angiotensin II receptor antagonists, renin inhibitors, and mixtures thereof. The present invention also provides methods for treating or preventing ischemic heart disorders, myocardial infarction, angina pectoris, stroke, migraine, cerebral hemorrhage, cardiac fatalities, transient ischaemic attacks, complications following organ transplants, coronary artery bypasses, angioplasty, endarterectomy, atherosclerosis, pulmonary embolism, bronchial asthma, bronchitis, pneumonia, circulatory shock of various organs, nephritis, graft rejection, cancerous metastases, pregnancy-induced hypertension, preeclampsia, eclampsia, thrombotic and thromboembolic disorders, intrauterine growth, gastrointestinal disorders, renal diseases and disorders, disorders resulting from elevated uric acid levels and dysmenorrhea, and for inhibiting platelet aggregation or platelet adhesion or relaxing smooth muscles.

  本发明描述了治疗或预防男性和女性性功能障碍以及增强男性和女性性反应的方法，其方法是施用治疗有效量的至少一种血栓素抑制剂，以及可选的至少一种能捐献、转移或释放一氧化氮、提高内皮源性松弛因子的内源性水平、刺激一氧化氮的内源性合成或一氧化氮合酶底物的化合物和/或至少一种血管活性剂。男性或女性最好患有糖尿病。本发明还提供了新型组合物，其中包含至少一种血栓素抑制剂，以及至少一种能捐献、转移或释放一氧化氮、提高内皮源性松弛因子的内源性水平、刺激一氧化氮的内源性合成或作为一氧化氮合酶底物的化合物、以及至少一种治疗剂，如血管活性剂、非甾体抗炎化合物（NSAIDs）、选择性环氧化酶-2（COX-2）抑制剂、抗凝剂、血管紧张素转换酶（ACE）抑制剂、血管紧张素 II 受体拮抗剂、肾素抑制剂及其混合物。本发明还提供了治疗或预防缺血性心脏疾病、心肌梗塞、心绞痛、中风、偏头痛、脑出血、心脏病死亡、短暂性脑缺血发作、器官移植后并发症、冠状动脉搭桥术、血管成形术、动脉内膜切除术、动脉粥样硬化、肺栓塞、支气管哮喘、支气管炎、肺炎、各种器官的循环休克、肾衰竭、心肌梗塞、心绞痛、中风、偏头痛、脑出血、心肌梗塞、血管成形术、动脉内膜切除术、冠状动脉搭桥术、血管成形术、动脉内膜切除术、动脉粥样硬化、肺栓塞、支气管哮喘、支气管炎、肺炎的方法、各种器官的循环休克、肾炎、移植物排斥反应、癌症转移、妊娠高血压、子痫前期、子痫、血栓和血栓栓塞性疾病、宫内发育、胃肠功能紊乱、肾病和肾功能紊乱、尿酸水平升高引起的疾病和痛经，以及用于抑制血小板聚集或血小板粘附或松弛平滑肌。
• TOMIYAMA, T.;WAKABAYASHI, SH.;KOSAKAI, K., J. MED. CHEM., 33,(1990) N, C. 2323-2326
  作者：TOMIYAMA, T.、WAKABAYASHI, SH.、KOSAKAI, K.

  DOI：——

  日期：——
• ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION
  申请人：Nitromed, Inc.

  公开号：EP1242068A1

  公开（公告）日：2002-09-25
• EP1242068A4
  申请人：——

  公开号：EP1242068A4

  公开（公告）日：2007-04-25