isopropyl 2-(4-isopropoxy-3-methoxyphenyl)acetate | 1256581-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: isopropyl 2-(4-isopropoxy-3-methoxyphenyl)acetate
• 英文别名: (4-isopropoxy-3-methoxy-phenyl)-acetic acid isopropyl ester；Propan-2-yl 2-(3-methoxy-4-propan-2-yloxyphenyl)acetate
• CAS: 1256581-67-5
• 化学式: C₁₅H₂₂O₄
• 分子量: 266.337
• InChiKey: NRYIEDOZQNFLLO-UHFFFAOYSA-N

物化性质

• 沸点：
  339.5±27.0 °C(Predicted)
• 密度：
  1.036±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  isopropyl 2-(4-isopropoxy-3-methoxyphenyl)acetate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 以100%的产率得到2-(4-异丙氧基-3-甲氧基苯基)乙酸
  参考文献：
  名称：

  Synthesis of N -benzyl-des- D -ring lamellarin K via an acyl-Claisen/Paal-Knorr approach

  摘要：

  Lamellarin K is a complex pyrrole natural product and member of the lamellarin family - a group of natural products known for their potent biological activities, such as, antiproliferative activity and inhibition of P-gp mediated drug efflux pumps. We herein describe the synthesis of the N-benzyl-des-D ring analogue of lamellarin K using a route that centres on an acyl-Claisen reaction to eventually prepare a highly-functionalised 1-aryl-4-methyl-1,4-diketone. Paal-Knorr pyrrole formation using this diketone undergoes auto-oxidation to give a fully-substituted 5-formyl pyrrole which was converted into the natural lactone B ring. Antiproliferative testing of the N-benzyl-des-D ring analogue gave an IC50 of 2.63 mu M against the MDA-MB-231 breast cancer cell line. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2017.02.044
• 作为产物：
  描述：

  4-羟基-3-甲氧基苄醇 在 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 生成 isopropyl 2-(4-isopropoxy-3-methoxyphenyl)acetate
  参考文献：
  名称：

  Synthesis of N -benzyl-des- D -ring lamellarin K via an acyl-Claisen/Paal-Knorr approach

  摘要：

  Lamellarin K is a complex pyrrole natural product and member of the lamellarin family - a group of natural products known for their potent biological activities, such as, antiproliferative activity and inhibition of P-gp mediated drug efflux pumps. We herein describe the synthesis of the N-benzyl-des-D ring analogue of lamellarin K using a route that centres on an acyl-Claisen reaction to eventually prepare a highly-functionalised 1-aryl-4-methyl-1,4-diketone. Paal-Knorr pyrrole formation using this diketone undergoes auto-oxidation to give a fully-substituted 5-formyl pyrrole which was converted into the natural lactone B ring. Antiproliferative testing of the N-benzyl-des-D ring analogue gave an IC50 of 2.63 mu M against the MDA-MB-231 breast cancer cell line. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2017.02.044

文献信息

• TETRACYCLIC COMPOUND
  申请人：Kinoshita Kazutomo

  公开号：US20120083488A1

  公开（公告）日：2012-04-05

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  一种由下面的一般式（I）表示的化合物，或其盐或溶剂化物，可用作ALK抑制剂，对于伴有ALK异常的疾病的预防或治疗是有用的，例如癌症、癌症转移、抑郁症或认知功能障碍（方程式中包含的符号的含义如规范中所述）。
• [EN] CYCLOHEXYL ISOQUINOLINONE COMPOUNDS<br/>[FR] COMPOSÉS DE CYCLOHEXYL-ISOQUINOLINONE
  申请人：NOVARTIS AG

  公开号：WO2012175487A1

  公开（公告）日：2012-12-27

  The invention relates to compounds of formula (I): as defined in the application. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  该发明涉及以下公式（I）的化合物：如在申请中定义。这些化合物适用于治疗由MDM2和/或MDM4的活性介导的疾病或疾病，或其变体。
• [EN] TETRACYCLIC COMPOUND<br/>[FR] COMPOSÉ TÉTRACYCLIQUE
  申请人：CHUGAI PHARMACEUTICAL CO LTD

  公开号：WO2010143664A1

  公开（公告）日：2010-12-16

  　【課題】ＡＬＫ阻害化合物を含有する、ＡＬＫの異常を伴う疾患、例えばがん、がん転移、うつまたは認知機能障害に有効な治療および予防薬を提供すること。【解決手段】上記課題は、下記一般式（Ｉ）： ［式中の記号は、明細書の定義を参照のこと］で示される化合物、その塩またはそれらの溶媒和物を含む医薬組成物によって達成される。

  【課題】提供一种包含ALK抑制剂化合物的药物组合物，用于治疗和预防伴有ALK异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍。 【解决方案】上述问题通过以下通式（I）所示的化合物，其盐或溶剂络合物所组成的药物组合物来实现：[式中的符号参见说明书]。
• TETRACYCLIC COMPOUNDS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP2975024A1

  公开（公告）日：2016-01-20

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  下式（I）所代表的化合物或其盐或溶液，可作为 ALK 抑制剂，用于预防或治疗伴随 ALK 异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍： (式中所含符号的含义与说明书中给出的相同）。
• CYCLOHEXYL ISOQUINOLINONE COMPOUNDS
  申请人：Novartis AG

  公开号：EP2721007B1

  公开（公告）日：2015-04-29