4-(2-(二异丙基氨基)乙氧基)-3-甲氧基苯胺 | 219785-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-(二异丙基氨基)乙氧基)-3-甲氧基苯胺
• 英文名称: N-[2-(4-amino-2-methoxyphenoxy)ethyl]-N,N-diisopropylamine
• 英文别名: 4-(2-diisopropylamino-ethoxy)-3-methoxy-phenylamine；4-(2-diisopropylamino)ethoxy-3-methoxyaniline；4-{2-[Di(propan-2-yl)amino]ethoxy}-3-methoxyaniline；4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyaniline
• CAS: 219785-42-9
• 化学式: C₁₅H₂₆N₂O₂
• 分子量: 266.384
• InChiKey: YQYKTRBWNKDCFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-(二异丙基氨基)乙氧基)-3-甲氧基苯胺 在 吡啶 、 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成 N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzenesulfonamide
  参考文献：
  名称：

  SAR of biphenyl carboxamide ligands of the human melanin-concentrating hormone receptor 1 (MCH R1): Discovery of antagonist SB-568849

  摘要：

  We report here the discovery of a class of MCH R1 ligands based on a biphenyl carboxamide template. A docked-in model is presented indicating key interactions in the putative binding site of the receptor. Parallel high throughput synthetic techniques were utilised to allow rapid exploration of the structure-activity relationship around this template, leading to compound SB-568849 which possessed good receptor affinity and selectivity. This compound proved to be an antagonist with stability in vivo, an acceptable brain-blood ratio and oral bioavailability. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.056
• 作为产物：
  描述：

  二异丙氨基乙基氯盐酸盐 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 24.0h， 生成 4-(2-(二异丙基氨基)乙氧基)-3-甲氧基苯胺
  参考文献：
  名称：

  SAR of biphenyl carboxamide ligands of the human melanin-concentrating hormone receptor 1 (MCH R1): Discovery of antagonist SB-568849

  摘要：

  We report here the discovery of a class of MCH R1 ligands based on a biphenyl carboxamide template. A docked-in model is presented indicating key interactions in the putative binding site of the receptor. Parallel high throughput synthetic techniques were utilised to allow rapid exploration of the structure-activity relationship around this template, leading to compound SB-568849 which possessed good receptor affinity and selectivity. This compound proved to be an antagonist with stability in vivo, an acceptable brain-blood ratio and oral bioavailability. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.056

文献信息

• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005011681A1

  公开（公告）日：2005-02-10

  Indazolylacrylamide derivatives, which are useful as SGK-1 inhibitors are described herein. The described invention also includes methods of making such indazolylacrylamide derivatives as well as methods of using the same in the treatment of diseases mediated by inappropriate SGK-1 activity.

  本文描述了作为SGK-1抑制剂有用的吲唑丙烯酰胺衍生物。所述发明还包括制备这种吲唑丙烯酰胺衍生物的方法，以及在治疗由不当的SGK-1活性介导的疾病中使用这种方法。
• Carboxamide compounds and their use as antagonists of a human 11cby receptor
  申请人：——

  公开号：US20040063686A1

  公开（公告）日：2004-04-01

  Compounds of formula (I) in which: each A is independently hydrogen, C1-6alkyl optionally substituted by hydroxyl, C1-6alkoxy, C1-6alkenyl or C1-6acyl group or a halogen atom or hydroxyl, CN or CF3 group; R3 is hydrogen, methyl or ethyl; R4 is an optionally substituted aromatic carbocyclic or heterocyclic ring; Z is an O or S atom, or an NH or CH2 group, or a single bond, at the 3 or 4 position of R4 relative to the carbonyl group; R5 is an optionally substituted aromatic carbocyclic or heterocyclic ring, or an optionally substituted, saturated or unsaturated, carbocyclic or heterocyclic ring; and Q is (a) Where X, Y, R1 and R2 are as defined in claim 1; are antagonists of a human 11CBy receptor. 1

  化合物的公式(I)如下：其中：每个A都是独立的氢，C1-6烷基，可选择性地被氢氧基，C1-6氧烷基，C1-6烯基或C1-6酰基或卤素原子或氢氧基，CN或CF3基替代；R3是氢，甲基或乙基；R4是一个可选择性替代的芳香环或杂环；Z是O或S原子，或NH或CH2基，或与羰基相对的R4的3或4位置上的单键；R5是可选择性替代的芳香环或杂环，或可选择性替代的饱和或不饱和的芳香环或杂环；Q是(a)其中X，Y，R1和R2如权利要求1所定义；是人类11CBy受体的拮抗剂。
• [EN] CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR<br/>[FR] COMPOSES DU CARBOXAMIDE ET LEUR UTILISATION COMME ANTAGONISTES D'UN RECEPTEUR 11CBY HUMAIN
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2002010146A1

  公开（公告）日：2002-02-07

  Compounds of formula (I) in which: each A is independently hydrogen, C1-6alkyl optionally substituted by hydroxyl, C1-6alkoxy, C1-6alkenyl or C1-6acyl group or a halogen atom or hydroxyl, CN or CF3 group; R3 is hydrogen, methyl or ethyl; R4 is an optionally substituted aromatic carbocyclic or heterocyclic ring; Z is an O or S atom, or an NH or CH2 group, or a single bond, at the 3 or 4 position of R4 relative to the carbonyl group; R5 is an optionally substituted aromatic carbocyclic or heterocyclic ring, or an optionally substituted, saturated or unsaturated, carbocyclic or heterocyclic ring; and Q is (a) Where X, Y, R1 and R2 are as defined in claim 1; are antagonists of a human 11CBy receptor.

  化合物的公式（I），其中：每个A是独立的氢、C1-6烷基（可选择性地被羟基、C1-6烷氧基、C1-6烯基或C1-6酰基或卤原子或羟基、CN或CF3基替代）、R3是氢、甲基或乙基、R4是可选择性取代的芳香环烃或杂环烃环、Z是O或S原子、或NH或CH2基、或与羰基相对于R4的3或4位置的单键、R5是可选择性取代的芳香环烃或杂环烃环、或可选择性取代的饱和或不饱和的芳香环烃或杂环烃环；Q是（a）式，其中X、Y、R1和R2如权利要求1所定义；是人类11CBy受体的拮抗剂。
• Lactam derivatives as antagonists for human 11cby receptors
  申请人：Armstrong Anne Sula

  公开号：US20050059651A1

  公开（公告）日：2005-03-17

  The invention provides compounds of formula (I) a salt, or solvate thereof.

  该发明提供了式(I)的化合物，其盐或溶剂。
• Chemical Compounds
  申请人：Drewry David Harold

  公开号：US20080058515A1

  公开（公告）日：2008-03-06

  Indazolylacrylamide derivatives, which are useful as SGK-1 inhibitors are described herein. The described invention also includes methods of making such indazolylacrylamide derivatives as well as methods of using the same in the treatment of diseases mediated by inappropriate SGK-1 activity.

  本文描述了一种有用的SGK-1抑制剂——吲唑丙烯酰胺衍生物。所述发明还包括制备此类吲唑丙烯酰胺衍生物的方法，以及使用它们治疗由不适当的SGK-1活性介导的疾病的方法。