8-(1,3,3-trimethylbutoxy)quinoline | 635756-99-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-(1,3,3-trimethylbutoxy)quinoline
• 英文别名: 8-(4,4-dimethylpentan-2-yloxy)quinoline
• CAS: 635756-99-9
• 化学式: C₁₆H₂₁NO
• 分子量: 243.349
• InChiKey: KEDALJISEBJSHI-UHFFFAOYSA-N

物化性质

• 沸点：
  350.9±15.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-(1,3,3-trimethylbutoxy)quinoline 在 N-甲基吡咯烷酮 、 间氯过氧苯甲酸 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 生成 Dimethyl-[8-(1,3,3-trimethyl-butoxy)-quinolin-2-yl]-amine
  参考文献：
  名称：

  Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 1

  摘要：

  A high-throughput screen was performed in order to identify chemotypes that are bound by the melanin concentrating hormone receptor-1 (MCHr1). A novel 2-amino-8-alkoxyquinoline compound (1) was identified and subsequently optimized using a parallel and automated procedure for the rapid production of multiple analogs. The structure-activity relationships that emerged from this effort are described, along with selected pharmacokinetic parameters of compound (d)-61 when dosed orally in diet-induced obese mice. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.032
• 作为产物：
  描述：

  8-羟基喹啉 、 4,4-二甲基-2-戊醇 在 偶氮二甲酸二苄酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 25.0h， 生成 8-(1,3,3-trimethylbutoxy)quinoline
  参考文献：
  名称：

  [EN] 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS
  [FR] 2-AMINOQUINOLINES SERVANT D'ANTAGONISTES DE RECEPTEUR DE L'HORMONE DE CONCENTRATION DE MELANINE

  摘要：

  本发明涉及公式(I)的化合物，或其治疗上适用的盐或前药，这些化合物通过黑素浓集激素受体拮抗黑素浓集激素（MCH）的效果，并且用于预防或治疗进食障碍、体重增加和肥胖。

  公开号：

  WO2003105850A1

文献信息

• 2-Aminoquinolines as melanin concentrating hormone receptor antagonists
  申请人：——

  公开号：US20040063756A1

  公开（公告）日：2004-04-01

  The present invention is related to compounds of formula (I), 1 or a therapeutically suitable salt or prodrug thereof, which antagonize the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor and are useful for the prevention or treatment of eating disorders, weight gain and obesity.

  本发明涉及式(I)的化合物，或其治疗上适宜的盐或前药，通过黑素浓集激素受体拮抗黑素浓集激素（MCH）的作用，并且对于预防或治疗进食障碍、体重增加和肥胖症是有用的。
• US6989392B2
  申请人：——

  公开号：US6989392B2

  公开（公告）日：2006-01-24
• [EN] 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS<br/>[FR] 2-AMINOQUINOLINES SERVANT D'ANTAGONISTES DE RECEPTEUR DE L'HORMONE DE CONCENTRATION DE MELANINE
  申请人：ABBOTT LAB

  公开号：WO2003105850A1

  公开（公告）日：2003-12-24

  The present invention is related to compounds of formula (I), or a therapeutically suitable salt or prodrug thereof, which antagonize the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor and are useful for the prevention or treatment of eating disorders, weight gain and obesity.

  本发明涉及公式(I)的化合物，或其治疗上适用的盐或前药，这些化合物通过黑素浓集激素受体拮抗黑素浓集激素（MCH）的效果，并且用于预防或治疗进食障碍、体重增加和肥胖。
• Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 1
  作者：Andrew J. Souers、Dariusz Wodka、Ju Gao、Jared C. Lewis、Anil Vasudevan、Robert Gentles、Sevan Brodjian、Brian Dayton、Christopher A. Ogiela、Dennis Fry、Lisa E. Hernandez、Kennan C. Marsh、Christine A. Collins、Philip R. Kym

  DOI：10.1016/j.bmcl.2004.07.032

  日期：2004.10

  A high-throughput screen was performed in order to identify chemotypes that are bound by the melanin concentrating hormone receptor-1 (MCHr1). A novel 2-amino-8-alkoxyquinoline compound (1) was identified and subsequently optimized using a parallel and automated procedure for the rapid production of multiple analogs. The structure-activity relationships that emerged from this effort are described, along with selected pharmacokinetic parameters of compound (d)-61 when dosed orally in diet-induced obese mice. (C) 2004 Elsevier Ltd. All rights reserved.