(R)-1-[3-((R)-cyclohexyl-hydroxy-phenyl-methyl)-isoxazol-5-ylmethyl]-3-(3-fluoro-phenoxy)-1-azonia-bicyclo[2.2.2]octane 2-hydroxy-ethanesulfonate | 1207975-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: (R)-1-[3-((R)-cyclohexyl-hydroxy-phenyl-methyl)-isoxazol-5-ylmethyl]-3-(3-fluoro-phenoxy)-1-azonia-bicyclo[2.2.2]octane 2-hydroxy-ethanesulfonate
• 英文别名: (R)-cyclohexyl-[5-[[(3R)-3-(3-fluorophenoxy)-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-1,2-oxazol-3-yl]-phenylmethanol;2-hydroxyethanesulfonate
• CAS: 1207975-82-3
• 化学式: C₂H₅O₄S*C₃₀H₃₆FN₂O₃
• 分子量: 616.751
• InChiKey: PWAFVGLTSFBGSO-YXTUEZIHSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.34
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (R)-1-[3-((R)-cyclohexyl-hydroxy-phenyl-methyl)-isoxazol-5-ylmethyl]-3-(3-fluoro-phenoxy)-1-azonia-bicyclo[2.2.2]octane chloride 、 羟乙基磺酸铵盐 在 水 、 乙醚 作用下， 以 二氯甲烷 、 甲醇 、 水 为溶剂， 反应 3.5h， 以to give the title compound (3.07 g, 82%)的产率得到(R)-1-[3-((R)-cyclohexyl-hydroxy-phenyl-methyl)-isoxazol-5-ylmethyl]-3-(3-fluoro-phenoxy)-1-azonia-bicyclo[2.2.2]octane 2-hydroxy-ethanesulfonate
  参考文献：
  名称：

  2-HYDROXY-ETHANESULFONATE SALT

  摘要：

  该发明提供(R)-1-[3-(R)-环己基-羟基苯甲基)-异恶唑-5-基甲基]-3-(3-氟苯氧基)-1-氮杂双环[2.2.2]辛烷-2-羟乙磺酸盐，含有该化合物的制药组合物以及其作为肌肉萎缩性括约肌括约抑制剂的用途，用于治疗慢性阻塞性肺疾病。

  公开号：

  US20110245292A1

文献信息

• [EN] PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT<br/>[FR] PRODUIT PHARMACEUTIQUE CONSTITUÉ D'UN ANTAGONISTE DU RÉCEPTEUR MUSCARINIQUE ET D'UN SECOND PRINCIPE ACTIF
  申请人：ASTRAZENECA AB

  公开号：WO2010019097A1

  公开（公告）日：2010-02-18

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is a selected muscarinic receptor antagonist, and a second active ingredient which is selected from a phosphodiesterase inhibitor, a modulator of chemokine receptor function, an inhibitor of kinase function, a protease inhibitor, a steroidal glucocorticoid receptor agonist, a non-steroidal glucocorticoid receptor agonist and a purinoceptor antagonist, of use in the treatment of respiratory diseases such as chronic obstructive pulmonary disease and asthma.

  该发明提供了一种药物产品、工具包或组合物，包括第一活性成分，该成分是选择的肌胆碱受体拮抗剂，以及第二活性成分，该成分选自磷酸二酯酶抑制剂、化学趋化因子受体功能调节剂、激酶功能抑制剂、蛋白酶抑制剂、类固醇糖皮质激素受体激动剂、非类固醇糖皮质激素受体激动剂和嘌呤受体拮抗剂，用于治疗呼吸道疾病，如慢性阻塞性肺疾病和哮喘。
• PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT
  申请人：Avitabile Barbara G.

  公开号：US20110207770A1

  公开（公告）日：2011-08-25

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is a selected muscarinic receptor antagonist, and a second active ingredient which is selected from a phosphodiesterase inhibitor, a modulator of chemokine receptor function, an inhibitor of kinase function, a protease inhibitor, a steroidal glucocorticoid receptor agonist, a non-steroidal glucocorticoid receptor agonist and a purinoceptor antagonist, of use in the treatment of respiratory diseases such as chronic obstructive pulmonary disease and asthma.

  本发明提供了一种药物产品、试剂盒或组合物，其中包含第一活性成分，该成分是选择的肌动蛋白受体拮抗剂，以及第二活性成分，该成分是从磷酸二酯酶抑制剂、趋化因子受体功能调节剂、激酶功能抑制剂、蛋白酶抑制剂、类固醇糖皮质激素受体激动剂、非类固醇糖皮质激素受体激动剂和嘌呤受体拮抗剂中选择，用于治疗呼吸系统疾病，如慢性阻塞性肺疾病和哮喘。
• PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST
  申请人：Avitabile Barbara G.

  公开号：US20110245293A1

  公开（公告）日：2011-10-06

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is a selected muscarinic receptor antagonist selected, and a second active ingredient which is a β 2 -adrenoceptor agonist, of use in the treatment of respiratory diseases such as chronic obstructive pulmonary disease and asthma.

  本发明提供了一种药物产品、试剂盒或组合物，包括第一种活性成分，该成分是所选的肌动力受体拮抗剂，并且第二种活性成分是β2-肾上腺素能受体激动剂，用于治疗呼吸系统疾病，例如慢性阻塞性肺疾病和哮喘。
• [EN] PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST<br/>[FR] PRODUIT PHARMACEUTIQUE CONSTITUÉ D'UN ANTAGONISTE DU RÉCEPTEUR MUSCARINIQUE ET D'UN AGONISTE DU RÉCEPTEUR ADRÉNERGIQUE BÊTA-2
  申请人：ASTRAZENECA AB

  公开号：WO2010019098A1

  公开（公告）日：2010-02-18

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is a selected muscarinic receptor antagonist selected, and a second active ingredient which is a β2-adrenoceptor agonist, of use in the treatment of respiratory diseases such as chronic obstructive pulmonary disease and asthma.
• [EN] 2-HYDROXY-ETHANESULFONATE SALT<br/>[FR] SEL 2-HYDROXY-ÉTHANESULFONATE
  申请人：ASTRAZENECA AB

  公开号：WO2010019099A1

  公开（公告）日：2010-02-18

  The invention provides (R) -1- [3- (R) -cyclohexyl-hydroxy-phenyl- methyl) -isoxazol-5-ylmethyl] -3- (3-f luoro-phenoxy) -1-azonia- bicyclo[2.2.2]octane 2-hydroxy ethanesulf onate, pharmaceutical compositions containing the compound and its use as a muscarinic antagonists, for the treatment of chronic obstructive pulmonary disease.