tert-butyl 4-[(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]tetrahydro-2H-pyran-4-carboxylate | 701270-84-0

• 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: tert-butyl 4-[(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]tetrahydro-2H-pyran-4-carboxylate
• 英文别名: Tert-butyl-4-[(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]tetrahydro-2H-pyran-4-carboxylate；tert-butyl 4-[(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]oxane-4-carboxylate
• CAS: 701270-84-0
• 化学式: C₁₇H₂₀BrNO₅S₂
• 分子量: 462.386
• InChiKey: CEJVRALVDZDBQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]tetrahydro-2H-pyran-4-carboxylate 、 4-[4-(三氟甲氧基)苯氧基]哌啶 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 以84%的产率得到tert-butyl 4-[(2-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}-1,3-benzothiazol-6-yl)sulfonyl]tetrahydro-2H-pyran-4-carboxylate
  参考文献：
  名称：

  [EN] HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS
  [FR] ACIDES ET AMIDES HETEROARYLSULFONYLMETHYL HYDROXAMIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PROTEASES

  摘要：

  公开号：

  WO2004048368A3
• 作为产物：
  描述：

  tert-butyl [(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]acetate 、 二氯乙醚 在 18-冠醚-6 、 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 23.0h， 以85%的产率得到tert-butyl 4-[(2-bromo-1,3-benzothiazol-6-yl)sulfonyl]tetrahydro-2H-pyran-4-carboxylate
  参考文献：
  名称：

  [EN] HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS
  [FR] ACIDES ET AMIDES HETEROARYLSULFONYLMETHYL HYDROXAMIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PROTEASES

  摘要：

  公开号：

  WO2004048368A3

文献信息

• Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors
  申请人：——

  公开号：US20040142979A1

  公开（公告）日：2004-07-22

  This invention is directed generally to heteroarylsulfonylmethyl hydroxamic acids and amides that, inter alia, tend to inhibit protease activity, particularly matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. This invention also is directed to compositions of such compounds; intermediates for the syntheses of such compounds; methods for making such compounds; and methods for treating conditions associated with MMP, tumor necrosis factors (or “TNFs”), and/or aggrecanase activity, particularly pathological conditions.

  本发明一般涉及杂环烷基磺酰甲基羟肟酸和酰胺，该类化合物具有抑制蛋白酶活性（特别是基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或Aggrecanase活性）的倾向。本发明还涉及这些化合物的组合物；合成这些化合物的中间体；制备这些化合物的方法；以及治疗与MMP、肿瘤坏死因子（或“TNFs”）和/或Aggrecanase活性相关的病理情况的方法。
• HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS
  申请人：Pharmacia Corporation

  公开号：EP1565459A2

  公开（公告）日：2005-08-24
• [EN] COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE<br/>[FR] COMPOSITIONS RENFERMANT UN INHIBITEUR SELECTIF DE LA CYCLOOXYGENASE-2 ET UN AGENT CANNABINOIDE SERVANT AU TRAITEMENT DE LESIONS DU SYSTEME NERVEUX CENTRAL
  申请人：PHARMACIA CORP

  公开号：WO2004105699A2

  公开（公告）日：2004-12-09

  The present invention provides compositions and methods for the treatment of central nervous system damage in a subject. More particularly, the invention provides a combination therapy for the treatment of a central nervous system ischemic condition or a central nervous system traumatic injury comprising the administration to a subject of a cannabinoid agent in combination with a cyclooxygenase-2 selective inhibitor.
• [EN] HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS<br/>[FR] ACIDES ET AMIDES HETEROARYLSULFONYLMETHYL HYDROXAMIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PROTEASES
  申请人：PHARMACIA CORP

  公开号：WO2004048368A3

  公开（公告）日：2004-08-12