5'-methoxy-6'-(2-(1-methylpyrrolidin-2-yl)ethoxy)spiro[cyclobutane-1,3'-indol]-2'-amine | 1527503-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5'-methoxy-6'-(2-(1-methylpyrrolidin-2-yl)ethoxy)spiro[cyclobutane-1,3'-indol]-2'-amine
• 英文别名: 5'-Methoxy-6'-[2-(1-methylpyrrolidin-2-yl)ethoxy]spiro[cyclobutane-1,3'-indole]-2'-amine；5'-methoxy-6'-[2-(1-methylpyrrolidin-2-yl)ethoxy]spiro[cyclobutane-1,3'-indole]-2'-amine
• CAS: 1527503-14-5
• 化学式: C₁₉H₂₇N₃O₂
• 分子量: 329.442
• InChiKey: HCOVVBMASKCSBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  60.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-苯甲氧基-3-甲氧基苯基乙腈 在 palladium 10% on activated carbon 、 四丁基溴化铵 、 氢气 、 硝酸 、 乙酸酐 、 potassium carbonate 、 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 83.33h， 生成 5'-methoxy-6'-(2-(1-methylpyrrolidin-2-yl)ethoxy)spiro[cyclobutane-1,3'-indol]-2'-amine
  参考文献：
  名称：

  Discovery and Development of Potent and Selective Inhibitors of Histone Methyltransferase G9a

  摘要：

  G9a is a histone lysine methyltransferase responsible for the methylation of histone H3 lysine 9. The discovery of A-366 arose from a unique diversity screening hit, which was optimized by incorporation of a propyl-pyrrolidine subunit to occupy the enzyme lysine channel. A-366 is a potent inhibitor of G9a (IC50: 3.3 nM) with greater than 1000-fold selectivity over 21 other methyltransferases.

  DOI：

  10.1021/ml400496h

文献信息

• INHIBITORS OF HISTONE METHYLTRANSFERASE G9a
  申请人：AbbVie Inc.

  公开号：US20150274660A1

  公开（公告）日：2015-10-01

  Described herein are compounds, pharmaceutical compositions and methods for treating cancer, inflammation, or autoimmune disease in a subject, or for inhibiting histone methyltransferase G9a.

  本文介绍了一种用于治疗癌症、炎症或自身免疫疾病，或用于抑制组蛋白甲基转移酶G9a的化合物、药物组合物和方法。
• SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS
  申请人：Epizyme Inc

  公开号：EP4105203A1

  公开（公告）日：2022-12-21

  The present disclosure relates to substituted fused bi- or tri- heterocyclic compounds of formula (Va) to (Vf). The present disclosure also relates to pharmaceutical compositions containing these compounds. Said compounds are for use in methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2.

  本公开涉及式（Va）至（Vf）的取代融合二或三杂环化合物。本公开还涉及含有这些化合物的药物组合物。所述化合物用于通过抑制选自 EHMT1 和 EHMT2 的甲基转移酶来治疗疾病（例如镰状细胞贫血）的方法。
• SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS
  申请人：Epizyme Inc

  公开号：EP3519393B1

  公开（公告）日：2022-05-18
• COMBINATION THERAPIES WITH EHMT2 INHIBITORS
  申请人：Epizyme, Inc.

  公开号：US20200054635A1

  公开（公告）日：2020-02-20

  The present disclosure relates to a method of preventing or treating a cancer via administering an EHMT2 inhibitor or a combination comprising an EHMT2 inhibitor compound and one or more additional therapeutic agent disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds or combinations for research or other non-therapeutic purposes.
• METHODS OF USING EHMT2 INHIBITORS
  申请人：Epizyme, Inc.

  公开号：US20200113901A1

  公开（公告）日：2020-04-16

  The present disclosure relates to a method of preventing or treating an imprinting disorder via administering an EHMT2 inhibitor compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.