4-hydroxy-7-[1R-hydroxy-2-(2-{3-[(2-methoxy-benzylamino)-methyl]-phenyl}-ethylamino)-ethyl]-3H-benzothiazol-2-one | 950503-06-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 4-hydroxy-7-[1R-hydroxy-2-(2-{3-[(2-methoxy-benzylamino)-methyl]-phenyl}-ethylamino)-ethyl]-3H-benzothiazol-2-one
• 英文别名: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
• CAS: 950503-06-7
• 化学式: C₂₆H₂₉N₃O₄S
• 分子量: 479.6
• InChiKey: VKCKAMBPNXKGHL-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  128
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-hydroxy-7-[1R-hydroxy-2-(2-{3-[(2-methoxy-benzylamino)-methyl]-phenyl}-ethylamino)-ethyl]-3H-benzothiazol-2-one 、 L-酒石酸 以 乙醇 、 水 为溶剂， 生成 4-hydroxy-7-[1R-hydroxy-2-(2-{3-[(2-methoxy-benzylamino)-methyl]-phenyl}-ethylamino)-ethyl]-3H-benzothiazol-2-one L-tartrate
  参考文献：
  名称：

  WO2007/106016

  摘要：

  公开号：
• 作为产物：
  描述：

  [3-(2-hydroxyethyl)benzyl]-(2-methoxybenzyl)carbamic acid tert-butyl ester 在 盐酸 、 sodium cyanoborohydride 、 戴斯-马丁氧化剂 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-hydroxy-7-[1R-hydroxy-2-(2-{3-[(2-methoxy-benzylamino)-methyl]-phenyl}-ethylamino)-ethyl]-3H-benzothiazol-2-one
  参考文献：
  名称：

  From libraries to candidate: The discovery of new ultra long-acting dibasic β2-adrenoceptor agonists

  摘要：

  Libraries of dibasic compounds designed around the molecular scaffold of the DA(2)/beta(2) dual agonist sibenadet (Viozan (TM)) have yielded a number of promising starting points that have been further optimised into novel potent and selective target molecules with required pharmacokinetic properties. From a short-list, 31 was discovered as a novel, high potency, and highly efficacious beta(2)-agonist with high selectivity and a duration of action commensurable with once daily dosing. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.049

文献信息

• Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient
  申请人：Cooper Anne Elizabeth

  公开号：US20120028941A1

  公开（公告）日：2012-02-02

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is N-Cyclopropyl-3-fluoro-4-methyl-5[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide or a salt thereof, and a second active ingredient selected from: a non-steroidal Glucocorticoid Receptor (GR Receptor) Agonist; an antioxidant; a β2 adrenoceptor agonist; a CCR1 antagonist; a chemokine antagonist (not CCR1); a corticosteroid; a CRTh2 antagonist; a DPI antagonist; an Histone Deacetylase activator; an IKK2 kinase inhibitor; a COX inhibitor; a lipoxygenase inhibitor; a leukotriene receptor antagonist; a MABA compound; an MPO inhibitor; a muscarinic antagonist; a PDE4 inhibitor; a PPARγ agonist; a protease inhibitor; a Statin; a thromboxane antagonist; a vasodilator; or, an ENAC blocker (Epithelial Sodium-channel blocker); and its use in the treatment of respiratory disease.

  该发明提供了一种制药产品、套装或组合物，包括第一活性成分N-环丙基-3-氟-4-甲基-5-[3-[[1-[2-[2-(甲氨基)乙氧基]苯基]环丙基]氨基]-2-氧代-1(2H)-吡嗪基]-苯甲酰胺或其盐，以及从以下选取的第二活性成分：非类固醇糖皮质激素受体（GR受体）激动剂；抗氧化剂；β2肾上腺素受体激动剂；CCR1拮抗剂；趋化因子拮抗剂（非CCR1）；皮质类固醇；CRTh2拮抗剂；DPI拮抗剂；组蛋白去乙酰化酶激活剂；IKK2激酶抑制剂；COX抑制剂；脂氧合酶抑制剂；白三烯受体拮抗剂；MABA化合物；MPO抑制剂；毛细血管抗药性剂；PDE4抑制剂；PPARγ激动剂；蛋白酶抑制剂；他汀类药物；前列腺素拮抗剂；扩血管剂；或者ENAC拮抗剂（上皮钠通道拮抗剂）；以及其在呼吸系统疾病治疗中的用途。
• Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists
  申请人：Alcaraz Lilian

  公开号：US20090062259A1

  公开（公告）日：2009-03-05

  The present invention relates to compounds according to formula (I), a process for preparing them, the intermediate compounds of the process and the use of the compounds in the manufacture of a medicament for use in treating diseases such as ARDS, pulmonary emphysema, bronchitis, bronchiectasis, COPD, asthma and rhinitis. The compounds are beta adrenoreceptor agonists.

  本发明涉及式(I)的化合物，其制备方法，该方法的中间体化合物以及化合物在制造治疗ARDS、肺气肿、支气管炎、支气管扩张、COPD、哮喘和鼻炎等疾病的药物中的应用。这些化合物是β-肾上腺素受体激动剂。
• PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT
  申请人：AstraZeneca AB

  公开号：US20150141387A1

  公开（公告）日：2015-05-21

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is N-Cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide or a salt thereof, and a second active ingredient selected from: a non-steroidal Glucocorticoid Receptor (GR Receptor) Agonist; an antioxidant; a β2 adrenoceptor agonist; a CCR1 antagonist; a chemokine antagonist (not CCR1); a corticosteroid; a CRTh2 antagonist; a DPI antagonist; an Histone Deacetylase activator; an IKK2 kinase inhibitor; a COX inhibitor; a lipoxygenase inhibitor; a leukotriene receptor antagonist; a MABA compound; an MPO inhibitor; a muscarinic antagonist; a PDE4 inhibitor; a PPARγ agonist; a protease inhibitor; a Statin; a thromboxane antagonist; a vasodilator; or, an ENAC blocker (Epithelial Sodium-channel blocker); and its use in the treatment of respiratory disease.

  本发明提供一种药物产品、试剂盒或组合物，包括第一种活性成分 N-环丙基-3-氟-4-甲基-5-[3-[[1-[2-[2-(甲基氨基)乙氧]苯基]环丙基]氨基]-2-氧代-1(2H)-吡嗪基]-苯甲酰胺或其盐，以及从以下选择的第二种活性成分：非类固醇糖皮质激素受体（GR受体）激动剂；抗氧化剂；β2肾上腺素受体激动剂；CCR1拮抗剂；趋化因子拮抗剂（不包括CCR1）；类固醇激素；CRTh2拮抗剂；DPI拮抗剂；组蛋白去乙酰化酶激活剂；IKK2激酶抑制剂；COX抑制剂；脂氧合酶抑制剂；白三烯受体拮抗剂；MABA化合物；MPO抑制剂；毒蕈碱受体拮抗剂；PDE4抑制剂；PPARγ激动剂；蛋白酶抑制剂；他汀类药物；血栓素拮抗剂；扩血管剂；或Epithelial Sodium-channel拮抗剂（ENAC拮抗剂）；以及其在呼吸系统疾病治疗中的用途。
• US7951954B2
  申请人：——

  公开号：US7951954B2

  公开（公告）日：2011-05-31
• US8969350B2
  申请人：——

  公开号：US8969350B2

  公开（公告）日：2015-03-03