2-({[(tert-butoxy)carbonyl]({[2-(dimethylamino)ethyl](ethyl)carbamoyl}methyl)amino}methyl)pyridine-4-carboxylic acid | 1596348-90-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-({[(tert-butoxy)carbonyl]({[2-(dimethylamino)ethyl](ethyl)carbamoyl}methyl)amino}methyl)pyridine-4-carboxylic acid
• 英文别名: 2-({[(Tert-butoxy)carbonyl]({[2 (dimethylamino)ethyl](ethyl)carbamoyl}methyl)amino}methyl)pyridine-4-carboxylic acid；2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylic acid
• CAS: 1596348-90-1
• 化学式: C₂₀H₃₂N₄O₅
• 分子量: 408.498
• InChiKey: YGJPCGMFORRGPY-UHFFFAOYSA-N

物化性质

• 沸点：
  602.6±55.0 °C(predicted)
• 密度：
  1.172±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-氨基吡啶 、 2-({[(tert-butoxy)carbonyl]({[2-(dimethylamino)ethyl](ethyl)carbamoyl}methyl)amino}methyl)pyridine-4-carboxylic acid 在 1-丙基磷酸酐 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 tert-butyl N-({[2-(dimethylamino)ethyl](ethyl)carbamoyl}methyl)-N-({4-[(pyridin-4-yl)carbamoyl]pyridin-2-yl}methyl)carbamate
  参考文献：
  名称：

  [EN] INHIBITORS OF HISTONE DEMETHYLASES
  [FR] INHIBITEURS D'HISTONE DÉMÉTHYLASES

  摘要：

  本申请公开了能够调节组蛋白去甲基化酶（HDMEs）活性的化合物，这些化合物对于预防和/或治疗涉及基因组失调在病因中起作用的疾病，如癌症等，是有用的。本申请还公开了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。这些化合物的结构如下（I）。

  公开号：

  WO2014053491A1
• 作为产物：
  描述：

  2,4-吡啶二羧酸 在 硫酸 、 二异丁基氢化铝 、 碳酸氢钠 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 反应 36.25h， 生成 2-({[(tert-butoxy)carbonyl]({[2-(dimethylamino)ethyl](ethyl)carbamoyl}methyl)amino}methyl)pyridine-4-carboxylic acid
  参考文献：
  名称：

  WO2020033377A5

  摘要：

  公开号：

  WO2020033377A5

文献信息

• INHIBITORS OF HISTONE DEMETHYLASES
  申请人：EpiTherapeutics ApS

  公开号：US20140371195A1

  公开（公告）日：2014-12-18

  The present application discloses compounds capable of modulating the activity of histone demethylases (HDMEs), which are useful for prevention and/or treatment of diseases in which genomic dysregulation is involved in the pathogenesis, such as e.g. cancer. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament. The compounds take the form

  本申请公开了能够调节组蛋白去甲基化酶(HDMEs)活性的化合物，这些化合物对于预防和/或治疗基因组失调参与病理过程的疾病，例如癌症，非常有用。本申请还公开了包含所述化合物的制药组合物，以及将这些化合物用作药物的用途。这些化合物采取以下形式。
• Inhibitors of histone demethylases
  申请人：Gilead Sciences, Inc.

  公开号：US10189787B2

  公开（公告）日：2019-01-29

  The present application discloses compounds capable of modulating the activity of histone demethylases (HDMEs), which are useful for prevention and/or treatment of diseases in which genomic dysregulation is involved in the pathogenesis, such as e.g. cancer. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament. The compounds take the form

  本申请公开了能够调节组蛋白去甲基化酶（HDMEs）活性的化合物，这些化合物可用于预防和/或治疗基因组失调参与发病机制的疾病，如癌症。本申请还公开了包含上述化合物的药物组合物以及将此类化合物用作药物的方法。这些化合物的形式为
• [EN] HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'HISTONE DÉMÉTHYLASE 5 ET UTILISATIONS CORRESPONDANTES
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2020033377A1

  公开（公告）日：2020-02-13

  Provided herein are compounds of Formulae (I) and (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the compounds or compositions disclosed herein for treating and/or preventing proliferative diseases, cancers, carcinoma lung cancer, breast cancer, liver cancer, pancreatic cancer, gastric cancer, ovarian cancer, colon cancer, colorectal cancer, leukemia, sarcoma and/or cardiovascular diseases in a subject in need thereof. In certain embodiments, the sarcoma is Ewing's sarcoma. Provided are methods of inhibiting a histone demethylase in a subject and/or in a cell, tissue, or biological sample. In certain embodiments, the histone demethylase is a KDM. In certain embodiments, the KDM is KDM5. In certain embodiments, the biological sample is a cell. In certain embodiments, the biological sample is a tissue.
• [EN] INHIBITORS OF HISTONE DEMETHYLASES<br/>[FR] INHIBITEURS D'HISTONE DÉMÉTHYLASES
  申请人：EPITHERAPEUTICS APS

  公开号：WO2014053491A1

  公开（公告）日：2014-04-10

  The present application discloses compounds capable of modulating the activity of histone demethylases (HDMEs), which are useful for prevention and/or treatment of diseases in which genomic dysregulation is involved in the pathogenesis, such as e.g. cancer. The present application also discloses pharmaceutical compositions comprising said compounds and the use of such compounds as a medicament. The compounds take the form (I).

  本申请公开了能够调节组蛋白去甲基化酶（HDMEs）活性的化合物，这些化合物对于预防和/或治疗涉及基因组失调在病因中起作用的疾病，如癌症等，是有用的。本申请还公开了包含所述化合物的药物组合物以及将这些化合物用作药物的用途。这些化合物的结构如下（I）。
• WO2020033377A5
  申请人：——

  公开号：WO2020033377A5

  公开（公告）日：2022-08-15