7-benzyloxycarbonylamino-2,2-dimethyl-benzo[1,3]dioxin-4-one | 98804-62-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-benzyloxycarbonylamino-2,2-dimethyl-benzo[1,3]dioxin-4-one
• 英文别名: benzyl 2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-7-ylcarbamate；7-N-Cbz-amino-2,2-dimethyl-4H-1,3-benzodioxin-4-one；7--2,2-dimethyl-1,3-benzodioxan-4-on；benzyl N-(2,2-dimethyl-4-oxo-1,3-benzodioxin-7-yl)carbamate
• CAS: 98804-62-7
• 化学式: C₁₈H₁₇NO₅
• 分子量: 327.337
• InChiKey: BXDOMNREZDLVKE-UHFFFAOYSA-N

物化性质

• 沸点：
  483.3±45.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-benzyloxycarbonylamino-2,2-dimethyl-benzo[1,3]dioxin-4-one 在 palladium 10% on activated carbon sodium hydroxide 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 20.0 ℃ 、1.0 MPa 条件下， 反应 264.0h， 生成 4-({[2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazol-2-yl]carbonyl}amino)-2-hydroxybenzoic acid
  参考文献：
  名称：

  WO2006/125805

  摘要：

  公开号：
• 作为产物：
  描述：

  4-benzyloxycarbonylamino-2-hydroxybenzoic acid 、 丙酮 在 三氟乙酸酐 作用下， 以 三氟乙酸 为溶剂， 反应 24.0h， 生成 7-benzyloxycarbonylamino-2,2-dimethyl-benzo[1,3]dioxin-4-one
  参考文献：
  名称：

  [EN] ARYL DICARBOXAMIDES
  [FR] ARYL-DICARBOXAMIDES

  摘要：

  本发明涉及式(I)的芳基二羧酰胺及其用于治疗和/或预防肥胖和/或由胰岛素抵抗或高血糖介导的代谢紊乱的使用，包括I型和/或II型糖尿病、葡萄糖耐量不足、胰岛素抵抗、高脂血症、高甘油三酯血症、高胆固醇血症、多囊卵巢综合征(PCOS)。特别是，本发明涉及使用式(I)的芳基二羧酰胺调节，尤其是抑制PTPs的活性。A是氨基甲酰基团；Cy是芳基、杂芳基、芳基-杂芳基、杂芳基-芳基、芳基-芳基、环烷基或杂环组；n为0或1；R1和R2独立地选自由氢或C1-C6-烷基组成的组；R4和R5各自独立地选自由H、羟基、C1-C6烷基、羧基、C1-C6烷氧基、C1-C3烷基羧基、C2-C3烯基羧基、C2-C3炔基羧基、氨基组成的组，或者R4和R5可以形成一个不饱和或饱和的杂环，其中至少R4或R5不是氢或C1-C6烷基。

  公开号：

  WO2005011685A1

文献信息

• [EN] ALKYNYL ARYL CARBOXAMIDES<br/>[FR] ALKYNYLARYL-CARBOXAMIDES
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2005012280A1

  公开（公告）日：2005-02-10

  The present invention is related to alkynyl aryl carboxamides of Formula (I’) and use thereof for the treatment and/or prevention of an inflammatory disorder, obesity and/or metabolic disorders mediated by insulin resistance or hyperglycemia, comprising diabetes type I and/or II, inadequate glucose tolerance. insulin resistance, hyperlipidemia, hypertriglyceridemia- hypercholesterolemia, polycystic ovary syndrome (PCOS). In particular, the present invention is related to the use of alkynyl aryl carboxamides of Formula (I’) to modulate, notably to inhibit the activity of PTPs. (I’) A is a C2-C15 alkynyl, C2-C6-alkynyl aryl, C2-C6-alkynyl heteroaryl. Cy is an aryl, heteroaryl, cycloalkyl or heterocycle group; n is either 0 or 1. Cy' is an aryl., which may optionally be fused by a 3-8 membered cycloalkyl. R1and R2 are independently from each other is selected from the group consisting of hydrogen or (CI-C6)alkyl. R4and R5 are each independently from each other selected from the group consisting of H, hydroxy. C1 -C6 alkyl, carboxy, C1-C6 alkoxy, C1 -C3 alkyl carboxy, C2-C3 alkenyl carboxy, C2-C3 alkynyl carboxy, amino or R4 and R5 may form an unsaturated or saturated heterocyclic ring, whereby at least one of R4 or R5 is not a hydrogen or C1-C6 alkyl.

  本发明涉及式(I')的炔基芳基羧酰胺及其用于治疗和/或预防由胰岛素抵抗或高血糖介导的炎症疾病、肥胖和/或代谢紊乱的使用，包括I型和/或II型糖尿病、葡萄糖耐量不足、胰岛素抵抗、高脂血症、高甘油三酯血症-高胆固醇血症、多囊卵巢综合征(PCOS)。特别是，本发明涉及使用式(I')的炔基芳基羧酰胺来调节，尤其是抑制PTPs的活性。(I') A是C2-C15炔基，C2-C6-炔基芳基，C2-C6-炔基杂芳基。Cy是芳基、杂芳基、环烷基或杂环族；n是0或1。Cy'是一个芳基，它可以选择性地通过一个3-8成员的环烷基融合。R1和R2独立地互选自由氢或(C1-C6)烷基组成的组。R4和R5各自独立地互选自H、羟基。C1-C6烷基、羧基、C1-C6烷氧基、C1-C3烷基羧基、C2-C3烯基羧基、C2-C3炔基羧基、氨基或R4和R5可以形成一个不饱和或饱和的杂环，其中至少R4或R5不是氢或C1-C6烷基。
• Aryl dicarboxamides
  申请人：Thomas J. Russel

  公开号：US20060189583A1

  公开（公告）日：2006-08-24

  The present invention is related to aryl dicarboxamides of formula (I) and use thereof for the treatment and/or prevention of obesity and/or metabolic disorders mediated by insulin resistance or hyperglycemia, comprising diabetes type I and/or II, inadequate glucose tolerance, insulin resistance, hyperlipidemia, hypertriglyceridemia, hypercholes-terolemia, polycystic ovary syndrome (PCOS). In particular, the present invention is related to the use of aryl dicarboxamides of formula (I) to modulate, notably to inhibit the activity of PTPs. A is an aminocarbonyl moiety; Cy is an aryl, heteroaryl, aryl-heteroaryl, heteroaryl-aryl, aryl-aryl, cycloalkyl or heterocycle group; n is either 0 or 1; R 1 and R 2 are independently from each other is selected from the group consisting of hydrogen or C 1 -C 6 -alkyl; R 4 and R 5 are each independently from each other selected from the group consisting of H, hydroxy, C 1 -C 6 alkyl, carboxy, C 1 -C 6 alkoxy, C 1 -C 3 alkyl carboxy, C 2 -C 3 alkenyl carboxy, C 2 -C 3 alkynyl carboxy, amino or R 4 and R 5 may form an unsaturated or saturated heterocyclic ring, whereby at least one of R 4 or R 5 is not a hydrogen or C 1 -C 6 alkyl.

  本发明涉及式（I）的芳基二羧酰胺及其用于治疗和/或预防由胰岛素抵抗或高血糖介导的肥胖症和/或代谢紊乱，包括1型和/或2型糖尿病、不良葡萄糖耐受、胰岛素抵抗、高脂血症、高三酰甘油血症、高胆固醇血症、多囊卵巢综合症（PCOS）。特别地，本发明涉及使用式（I）的芳基二羧酰胺来调节，特别是抑制PTP的活性。其中，A是氨基甲酰基；Cy是芳基、杂环芳基、芳基-杂环芳基、杂环芳基-芳基、芳基-芳基、环烷基或杂环基团；n为0或1；R1和R2各自独立地选择自氢或C1-C6烷基的群；R4和R5各自独立地选择自H、羟基、C1-C6烷基、羧基、C1-C6烷氧基、C1-C3烷基羧基、C2-C3烯基羧基、C2-C3炔基羧基、氨基或R4和R5可以形成不饱和或饱和的杂环环，其中R4或R5中至少有一个不是氢或C1-C6烷基。
• Thiazole Derivatives and Use Thereof
  申请人：Quattropani Anna

  公开号：US20080188531A1

  公开（公告）日：2008-08-07

  The present invention is related to thiazole derivatives of Formula (I) in particular for the treatment and/or prophylaxis of autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries.

  本发明涉及式（I）的噻唑衍生物，特别是用于治疗和/或预防自身免疫性疾病和/或炎症性疾病、心血管疾病、神经退行性疾病、细菌或病毒感染、肾脏疾病、血小板聚集、癌症、移植、移植排斥或肺损伤。
• Alkynyl aryl carboxamides
  申请人：Swinnen Dominique

  公开号：US20070105913A1

  公开（公告）日：2007-05-10

  The present invention is related to alkynyl aryl carboxamides of Formula (I′) and use thereof for the treatment and/or prevention of an inflammatory disorder, obesity and/or metabolic disorders mediated by insulin resistance or hyperglycemia, comprising diabetes type I and/or II, inadequate glucose tolerance, insulin resistance, hyperlipidemia, hypertriglyceridemia-hypercholesterolemia, polycystic ovary syndrome (PCOS). In particular, the present invention is related to the use of alkynyl aryl carboxamides of Formula (I′) to modulate, notably to inhibit the activity of PTPs. (I′) A is a C 2 -C 15 alkynyl, C 2 -C 6 -alkynyl aryl, C 2 -C 6 -alkynyl heteroaryl. Cy is an aryl, heteroaryl, cycloalkyl or heterocycle group; n is either 0 or 1. Cy′ is an aryl., which may optionally be fused by a 3-8 membered cycloalkyl. R 1 and R 2 are independently from each other is selected from the group consisting of hydrogen or (C 1 -C 6 )alkyl. R 4 and R 5 are each independently from each other selected from the group consisting of H, hydroxy. C 1 -C 6 alkyl, carboxy, C 1 -C 6 alkoxy, C 1 -C 3 alkyl carboxy, C 2 -C 3 alkenyl carboxy, C 2 -C 3 alkynyl carboxy, amino or R 4 and R 5 may form an unsaturated or saturated heterocyclic ring, whereby at least one of R 4 or R 5 is not a hydrogen or C 1 -C 6 alkyl.

  本发明涉及公式（I'）的炔基芳基羧酰胺及其用于治疗和/或预防由胰岛素抵抗或高血糖介导的炎症性疾病、肥胖和/或代谢紊乱，包括1型和/或2型糖尿病、不足的葡萄糖耐受性、胰岛素抵抗、高脂血症、高三酸甘油酯血症-高胆固醇血症、多囊卵巢综合征（PCOS）。特别地，本发明涉及使用公式（I'）的炔基芳基羧酰胺来调节，特别是抑制PTP的活性。 （I'）中，A是C2-C15炔基、C2-C6炔基芳基、C2-C6炔基杂芳基。Cy是芳基、杂芳基、环烷基或杂环基；n为0或1。Cy'是芳基，可以选择与3-8个成员的环烷基融合。R1和R2分别独立地选自羟基或（C1-C6）烷基的群。R4和R5各自独立地选自H、羟基、C1-C6烷基、羧基、C1-C6烷氧基、C1-C3烷基羧基、C2-C3烯基羧基、C2-C3炔基羧基、氨基或R4和R5可以形成不饱和或饱和的杂环，其中R4或R5中至少有一个不是氢或C1-C6烷基。
• ALKYNYL ARYL CARBOXAMIDES
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1654247A1

  公开（公告）日：2006-05-10