(4-(2-吗啉乙氧基)萘-1-基)氨基甲酸叔丁酯 | 285984-35-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: (4-(2-吗啉乙氧基)萘-1-基)氨基甲酸叔丁酯
• 中文别名: 叔丁氧羰基-4-(2-吗啉乙氧基)萘-1-胺
• 英文名称: [4-(2-morpholin-4-yl-ethoxy)naphthalen-1-yl]carbamic acid tert-butyl ester
• 英文别名: tert-butyl 4-(2-morpholin-4-ylethoxy)naphthalen-1-ylcarbamate；4-N-Boc-aminonaphthyl ether；tert-butyl 1-(2-morpholinoethoxy)naphthalene-4-yl carbamate；tert-Butyl (4-(2-morpholinoethoxy)naphthalen-1-yl)carbamate；tert-butyl N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamate
• CAS: 285984-35-2
• 化学式: C₂₁H₂₈N₂O₄
• 分子量: 372.464
• InChiKey: XULLZLAGYGKKBS-UHFFFAOYSA-N

物化性质

• 沸点：
  499.7±40.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  (4-(2-吗啉乙氧基)萘-1-基)氨基甲酸叔丁酯 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 1-[2-(4-甲基苯基)-5-叔丁基吡唑-3-基]-3-[4-(2-吗啉-4-基乙氧基)萘-1-基]脲
  参考文献：
  名称：

  Pyrazole Urea-Based Inhibitors of p38 MAP Kinase:  From Lead Compound to Clinical Candidate

  摘要：

  We report on a series of N-pyrazole, N'-aryl ureas and their mode of binding to p38 mitogen activated protein kinase. Importantly, a key binding domain that is distinct from the adenosine 5'-triphoshate (ATP) binding site is exposed when the conserved activation loop, consisting in part of Asp168-Phe169-Gly170, adopts a conformation permitting lipophilic and hydrogen bonding interactions between this class of inhibitors and the protein. We describe the correlation of the structure-activity relationships and crystallographic structures of these inhibitors with p38. In addition, we incorporated another binding pharmacophore that forms a hydrogen bond at the ATP binding site. This modification affords significant improvements in binding, cellular, and in vivo potencies resulting in the selection of 45 (BIRB 796) as a clinical candidate for the treatment of inflammatory diseases.

  DOI：

  10.1021/jm020057r
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 3.0h， 生成 (4-(2-吗啉乙氧基)萘-1-基)氨基甲酸叔丁酯
  参考文献：
  名称：

  Pyrazole Urea-Based Inhibitors of p38 MAP Kinase:  From Lead Compound to Clinical Candidate

  摘要：

  We report on a series of N-pyrazole, N'-aryl ureas and their mode of binding to p38 mitogen activated protein kinase. Importantly, a key binding domain that is distinct from the adenosine 5'-triphoshate (ATP) binding site is exposed when the conserved activation loop, consisting in part of Asp168-Phe169-Gly170, adopts a conformation permitting lipophilic and hydrogen bonding interactions between this class of inhibitors and the protein. We describe the correlation of the structure-activity relationships and crystallographic structures of these inhibitors with p38. In addition, we incorporated another binding pharmacophore that forms a hydrogen bond at the ATP binding site. This modification affords significant improvements in binding, cellular, and in vivo potencies resulting in the selection of 45 (BIRB 796) as a clinical candidate for the treatment of inflammatory diseases.

  DOI：

  10.1021/jm020057r
• 作为试剂：
  描述：

  4-氨基-1-萘酚盐酸盐 、 正丁基锂 、 、 (4-羟基-1-萘)-氨基甲酸叔丁酯 、 N-(2-氯乙基)吗啉盐酸盐 、 potassium carbonate 在 (4-(2-吗啉乙氧基)萘-1-基)氨基甲酸叔丁酯 、 BOC 作用下， 以 乙腈 、 四氢呋喃 为溶剂， 以to furnish 1-amino-4-(2-(morpholin-4-yl)ethoxy)naphthalene (39) as the hydrochloride salt的产率得到4-(2-吗啉-4-基乙氧基)-1-萘胺
  参考文献：
  名称：

  Aromatic heterocyclic compounds as anti-inflammatory agents

  摘要：

  本发明揭示了一种新颖的芳香族杂环化合物，其化学式(I)中的Ar1、Ar2、L、Q和X如本文所述。该化合物可用于制备治疗疾病或病理状态的药物组合物。本发明还揭示了制备这种化合物的方法。

  公开号：

  US06476023B1

文献信息

• [EN] SILICON COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES DE SILICIUM ET UTILISATIONS DE CEUX-CI
  申请人：AMEDIS PHARM LTD

  公开号：WO2005044825A1

  公开（公告）日：2005-05-19

  A compound of formula (1) wherein R1, R2 and R3 are the same or different and are each alkyl, -alkyl-aryl or -alkyl-cycloalkyl; or R1-Si-R 2 taken together form heterocycloalkyl; R4 is aryl or heteroaryl, either of which is optionally substituted with -Y-R5; R5 is alkyl, cycloalkyl, heterocycloalkyl or heteroaryl; W is arylene, optionally substituted with one or more substituents selected from halogen, hydroxy, alkyl, -alkyl-aryl, -alkyl-cycloalkyl, aryl, heteroaryl, -alkylheteroaryl, -alkyl­heterocycloalkyl, -alkoxy-heterocycloalkyl, alkoxy, aryloxy, hydroxyalkyl, -NHC(O)-alkyl, -NHC(O)-aryl, -NHS(0)2-alkyl, -NH,9(0)2-aryl, cyano and -Si(R1)(R2)(R3); X is oxygen or sulphur; Y is a bond, -NH-, -0-, -S-, -Si(R6)(R7 )-, alkylene, -0-alkyl-, -S-alkyl-, -NH alkyl-, -Si(R6)(R7 )-alkyl-, heterocycloalkylene or -heterocycloalkyl-alkyl-; and R6 and R7 are the same or different and are each alkyl, -alkyl-aryl or -alkyl­ cycloalkyl; or R6-Si-R7 taken together form heterocycloalkyl; or a pharmaceutically acceptable salt thereof or a prodrug form that is oxidisable or hydrolysable to form a compound as defined above.

  式（1）的化合物，其中R1、R2和R3相同或不同，分别为烷基、-烷基-芳基或-烷基-环烷基；或R1-Si-R2一起形成杂环烷基；R4为芳基或杂芳基，任一者可选择性地用-Y-R5取代；R5为烷基、环烷基、杂环烷基或杂芳基；W为芳亚烷，可选择性地用卤素、羟基、烷基、-烷基-芳基、-烷基-环烷基、芳基、杂芳基、-烷基杂芳基、-烷基杂环烷基、-烷氧基-杂环烷基、烷氧基、芳氧基、羟基烷基、-NHC(O)-烷基、-NHC(O)-芳基、-NHS(0)2-烷基、-NH,9(0)2-芳基、氰基和-Si(R1)(R2)(R3)中选择的一个或多个取代基取代；X为氧或硫；Y为键、-NH-、-O-、-S-、-Si(R6)(R7)-、亚烷基、-O-烷基、-S-烷基、-NH烷基、-Si(R6)(R7)-烷基、杂环烷基或-杂环烷基-烷基；R6和R7相同或不同，分别为烷基、-烷基-芳基或-烷基环烷基；或R6-Si-R7一起形成杂环烷基；或其药学上可接受的盐或可被氧化或水解形成上述定义的化合物的前药形式。
• 1,4-Benzofused urea compounds useful in treating cytokine mediated diseases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030232865A1

  公开（公告）日：2003-12-18

  Disclosed are 1,4-disubstituted benzo-fused urea compounds of formula (I): 1 wherein Ar, X, A, L, and Q of formula(I) are defined herein. The compounds inhibit production of cytokines involved in inflammatory processes and are thus useful for treating diseases and pathological conditions involving inflammation such as chronic inflammatory disease. Also disclosed are processes for preparing these compounds and pharmaceutical compositions comprising these compounds.

  披露了公式(I)的1,4-二取代苯并尿素化合物：1其中，公式(I)中的Ar、X、A、L和Q在本文中定义。这些化合物抑制参与炎症过程的细胞因子的产生，因此可用于治疗涉及炎症的疾病和病理状况，如慢性炎症疾病。还披露了制备这些化合物的方法以及包含这些化合物的药物组合物。
• 1,4-Disubstituted benzo-fused compounds
  申请人：——

  公开号：US20030083333A1

  公开（公告）日：2003-05-01

  Disclosed are novel 1,4-disubstituted benzo-fused compounds wherein G, X, L, Q, n and Y are defined herein. The compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. Also disclosed are processes of making such compounds. 1

  揭示了一种新型的1,4-二取代苯并化合物，其中G、X、L、Q、n和Y在此定义。这些化合物在制备用于治疗涉及炎症的疾病或病理状况的药物组合物中很有用，如慢性炎症性疾病。还公开了制备这些化合物的方法。
• Compounds use as anti-inflammatory agents
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030125354A1

  公开（公告）日：2003-07-03

  Disclosed are novel aromatic compounds of the formula (I) wherein G, X, Ar, L and Q are defined herein. The compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. Also disclosed are processes of making such compounds. 1

  本发明揭示了一种式(I)的新型芳香化合物，其中G、X、Ar、L和Q在此处定义。这些化合物可用于制备药物组合物，用于治疗涉及炎症的疾病或病理情况，如慢性炎症性疾病。本发明还揭示了制备这种化合物的方法。
• UREA DERIVATIVES AS ABL MODULATORS
  申请人：Grotzfeld Robert M.

  公开号：US20100173917A1

  公开（公告）日：2010-07-08

  The invention provides methods and compositions for treating conditions mediated by Bcr-Abl. The invention also provides methods of using the compounds and/or compositions in the treatment of a variety of diseases and unwanted conditions in subjects.

  本发明提供了治疗由Bcr-Abl介导的疾病的方法和组合物。本发明还提供了使用这些化合物和/或组合物治疗受试者的各种疾病和不良情况的方法。