6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester
• 英文别名: 2-tert-butyl 3-methyl 6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate；2-O-tert-butyl 3-O-methyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
• 化学式: C₁₆H₂₁NO₅
• 分子量: 307.346
• InChiKey: PTICLGKPNSWENQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester 在 lithium hydroxide 、 2,2,6,6-四甲基-3,5-庚二酮 、 水 、 caesium carbonate 、 copper(l) chloride 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 生成 2-(tert-butoxycarbonyl)-6-(3-chlorophenoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  参考文献：
  名称：

  WO2008/141227

  摘要：

  公开号：
• 作为产物：
  描述：

  1,2,3,4-四氢-6-羟基异喹啉-3-羧酸 、 methyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate 、 二碳酸二叔丁酯 以 HCl methanol dioxane 为溶剂， 反应 2.0h， 以to give 6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester, which的产率得到6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester 3-methyl ester
  参考文献：
  名称：

  Substituted Azole Derivatives, Compositions, and Methods of Use

  摘要：

  本发明提供式（I）的唑类衍生物，其制备方法，含有式（I）化合物的制药组合物，以及它们在治疗人类或动物疾病方面的用途。本发明的化合物可用作蛋白酪氨酸磷酸酶的抑制剂，因此可用于治疗PTPase活性介导的疾病的管理、治疗、控制或辅助治疗。这些疾病包括1型糖尿病和2型糖尿病。

  公开号：

  US20110092553A1

文献信息

• Substituted azole derivatives, compositions, and methods of use
  申请人：Mjalli M.M. Adnan

  公开号：US20050187277A1

  公开（公告）日：2005-08-25

  The present invention provides azole derivatives of Formula (I), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I), and their use in treating human or animal disorders. The compounds of the invention can be useful as inhibitors of protein tyrosine phosphatases and thus can be useful for the management, treatment, control, or the adjunct treatment of diseases mediated by PTPase activity. Such diseases include Type I diabetes and Type II diabetes.

  本发明提供了式（I）的唑类衍生物，其制备方法，包含式（I）化合物的药物组合物，以及它们在治疗人类或动物疾病中的用途。本发明的化合物可用作蛋白酪氨酸磷酸酶的抑制剂，因此可用于管理、治疗、控制或辅助治疗由PTPase活性介导的疾病。这些疾病包括I型糖尿病和II型糖尿病。
• Aryl and heteroaryl compounds, compositions, and methods of use
  申请人：Mjalli M.M. Adnan

  公开号：US20050059705A1

  公开（公告）日：2005-03-17

  This invention provides aryl and heteroaryl compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention may be antagonists, or partial antagonist of factor IX and/or factor XI and thus, may be useful for inhibiting the intrinsic pathway of blood coagulation. The compounds may be useful in a variety of applications including the management, treatment and/or control of diseases caused in part by the intrinsic clotting pathway.

  本发明提供了芳基和杂环芳基化合物，其制备方法，包括这些化合物的制药组合物，以及它们在治疗人类或动物疾病中的应用。本发明的化合物可能是因子IX和/或因子XI的拮抗剂或部分拮抗剂，因此，它们可能有助于抑制血液凝固的内在途径。这些化合物可能在各种应用中有用，包括部分由内在凝血途径引起的疾病的管理、治疗和/或控制。
• Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors
  申请人：Mjalli M.M. Adnan

  公开号：US20060223849A1

  公开（公告）日：2006-10-05

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及一种抑制β-淀粉样前体蛋白剪切酶（BACE）的苯并咪唑化合物，该化合物可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物的用途。
• Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20090326006A1

  公开（公告）日：2009-12-31

  The present invention is directed to benzazole compounds that inhibit β-site amyloid precursor protein-cleaving enzyme (BACE) and that may be useful in the treatment or prevention of diseases in which BACE is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which BACE is involved.

  本发明涉及抑制β位点淀粉样前体蛋白剪切酶（BACE）的苯并唑化合物，可用于治疗或预防BACE参与的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物，以及在预防或治疗BACE参与的这些疾病中使用这些化合物和组合物的用途。
• Novel macrocyclic inhibitors of hepatitis C virus replication
  申请人：Blatt M. Lawrence

  公开号：US20070054842A1

  公开（公告）日：2007-03-08

  The embodiments provide compounds of the general Formulae I through general Formula VIII, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  本实施例提供一般式I至一般式VIII的化合物，以及包括药物组合物在内的组合物，其中包括一种主体化合物。本实施例还提供治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，这些方法通常涉及向需要治疗的个体施用一种主体化合物或组合物的有效量。