methyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4-tetrahydro-6-quinolinyl]propanoate | 623144-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4-tetrahydro-6-quinolinyl]propanoate
• 英文别名: Methyl 3-[2-(2,6-dichlorophenyl)-4-phenylsulfanyl-1,2,3,4-tetrahydroquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 623144-12-7
• 化学式: C₃₀H₃₂Cl₂N₂O₄S
• 分子量: 587.567
• InChiKey: BIZKKGFKDQCVEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4-tetrahydro-6-quinolinyl]propanoate 在 sodium iodate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 methyl 2-amino-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoate
  参考文献：
  名称：

  2,6-Quinolinyl derivatives as potent VLA-4 antagonists

  摘要：

  A new series of 2,6-quinolinyl derivatives was prepared leading to potent low nanomolar VLA-4/VCAM-1 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.069
• 作为产物：
  描述：

  methyl 2-amino-3-(4-nitrophenyl)propionate 在 palladium on activated charcoal sodium hydroxide 、 甲酸铵 、 ytterbium(III) triflate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 methyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4-tetrahydro-6-quinolinyl]propanoate
  参考文献：
  名称：

  2,6-Quinolinyl derivatives as potent VLA-4 antagonists

  摘要：

  A new series of 2,6-quinolinyl derivatives was prepared leading to potent low nanomolar VLA-4/VCAM-1 antagonists. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.069

文献信息

• [EN] 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS<br/>[FR] DERIVES DE 2,6-QUINOLINYLE ET DE 2,6-NAPHTYLE, LEURS PROCEDES DE PREPARATION ET LEUR UTILISATION COMME INHIBITEURS DE VLA-4
  申请人：UCB SA

  公开号：WO2003093237A1

  公开（公告）日：2003-11-13

  The present invention concerns 2,6-quinolinyl and 2,6-naphthyl derivatives of formula (I), processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals for the treatment of VLA-4 dependent inflammatory diseases such as for example asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, psoriasis, urticaria, pruritus, eczema, rheumatoid arthritis, inflammatory bowel disease, multiple sclerosis and atherosclerosis. Formula (I): wherein X is N or CH.

  本发明涉及式(I)的2,6-喹啉基和2,6-萘基衍生物，制备它们的方法，含有它们的药物组合物以及它们作为治疗VLA-4依赖性炎症性疾病的药物的用途，例如哮喘、过敏性鼻炎、鼻窦炎、结膜炎、食物过敏、牛皮癣、荨麻疹、瘙痒、湿疹、类风湿关节炎、炎症性肠病、多发性硬化和动脉粥样硬化等。式(I)：其中X为N或CH。
• 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors
  申请人：Lassoie Marie-Agnes

  公开号：US20080064720A1

  公开（公告）日：2008-03-13

  The present invention concerns 2,6-quinolinyl and 2,6-naphthyl derivatives of formula (I), processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals for the treatment of VLA-4 dependent inflammatory diseases such as for example asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, psoriasis, urticaria, pruritus, eczema, rheumatoid arthritis, inflammatory bowel disease, multiple sclerosis and atherosclerosis. Formula (I): wherein X is N or CH.

  本发明涉及公式(I)的2,6-喹啉基和2,6-萘基衍生物，其制备方法，含有它们的制药组合物以及它们作为药物治疗VLA-4依赖性炎症性疾病的用途，例如哮喘、过敏性鼻炎、鼻窦炎、结膜炎、食物过敏、银屑病、荨麻疹、瘙痒、湿疹、类风湿性关节炎、炎症性肠病、多发性硬化和动脉粥样硬化。公式(I)中，X为N或CH。
• 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS
  申请人：Lassoie Marie-Agnes

  公开号：US20100105681A1

  公开（公告）日：2010-04-29

  The present invention concerns 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals.

  本发明涉及2,6-喹啉基和2,6-萘基衍生物，其制备工艺，含有它们的制药组合物以及它们作为药物的用途。
• 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors
  申请人：UCB Pharma S.A.

  公开号：US07638630B2

  公开（公告）日：2009-12-29

  The present invention concerns 2,6-quinolinyl and 2,6-naphthyl derivatives of formula (I), processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals for the treatment of VLA-4 dependent inflammatory diseases such as for example asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, psoriasis, urticaria, pruritus, eczema, rheumatoid arthritis, inflammatory bowel disease, multiple sclerosis and atherosclerosis. Formula (I): wherein X is N or CH.

  本发明涉及式(I)的2,6-喹啉基和2,6-萘基衍生物，其制备方法，含有它们的制药组合物以及它们作为治疗VLA-4依赖性炎症性疾病的药物的用途，例如哮喘、过敏性鼻炎、鼻窦炎、结膜炎、食物过敏、银屑病、荨麻疹、瘙痒、湿疹、类风湿性关节炎、炎症性肠病、多发性硬化和动脉硬化等。其中X为N或CH。
• 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES
  申请人：UCB Pharma, S.A.

  公开号：EP1501801B1

  公开（公告）日：2008-01-23