ethyl 5-(2-((tert-butoxycarbonyl)amino)acetamido)-1H-indole-2-carboxylate | 1408083-98-6

• 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: ethyl 5-(2-((tert-butoxycarbonyl)amino)acetamido)-1H-indole-2-carboxylate
• 英文别名: ethyl 5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1H-indole-2-carboxylate
• CAS: 1408083-98-6
• 化学式: C₁₈H₂₃N₃O₅
• 分子量: 361.398
• InChiKey: NQPBAHRJZKTIOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 5-(2-((tert-butoxycarbonyl)amino)acetamido)-1H-indole-2-carboxylate 在 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 ethyl 5-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]-1H-indole-2-carboxylate
  参考文献：
  名称：

  Identification of Small-Molecule Enhancers of Arginine Methylation Catalyzed by Coactivator-Associated Arginine Methyltransferase 1

  摘要：

  Arginine methylation, is a common post-translational modification that is crucial in modulating gene expression at multiple critical. levels. The arginine methyltransferases (PRMTs) are envisaged as promising druggable targets,: but their role in physiological and pathological pathways is far from being clear due to the limited number of modulators reported to date. In this effort; enzyme activators can be invaluable tools, useful as gain-of-function reagents to interrogate the biological roles. in cells and in vivo of PRMTs. Yet the identification such molecule's is rarely pursued. Herein we describe a series of aryl ureido acetamido indole carboxylates (dubbed "uracandolates"), able to increase the Methylation of histone (H3) or nonhistone (polyadenylate-bihding protein 1, PABP1) substrates induced by coactivator-associated arginine methyltransferase 1 (CARM1), bath in in vitro and cellular settings. To the best of our knowledge, this is the first report of compounds acting as CARM1 activators.

  DOI：

  10.1021/jm301097p
• 作为产物：
  描述：

  5-硝基吲哚-2-羧酸乙酯 在 palladium on activated charcoal 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 ethyl 5-(2-((tert-butoxycarbonyl)amino)acetamido)-1H-indole-2-carboxylate
  参考文献：
  名称：

  [EN] SACCHARIDE DERIVATIVE OF A TOXIC PAYLOAD AND ANTIBODY CONJUGATES THEREOF
  [FR] DÉRIVÉ DE SACCHARIDE D'UNE CHARGE UTILE TOXIQUE ET CONJUGUÉS D'ANTICORPS DE CELUI-CI

  摘要：

  本文披露了一种分子，其中包括一种糖苷通过O-糖苷键与毒性荷载分子的羟基结合。还披露了一种抗体药物结合物，包括一种抗体与一种毒性荷载分子共价结合，可选地通过连接基团，以及一种糖苷通过O-糖苷键与毒性荷载分子的羟基结合。

  公开号：

  WO2016001485A1

文献信息

• Saccharide derivative of a toxic payload and antibody conjugates thereof
  申请人：Glykos Finland Oy

  公开号：US10973920B2

  公开（公告）日：2021-04-13

  A molecule comprising a saccharide bound via an O-glycosidic bond to a hydroxyl group of a toxic payload molecule is disclosed. An antibody-drug conjugate comprising an antibody covalently bound to a toxic payload molecule, optionally via a linker group, and a saccharide bound via an O-glycosidic bond to a hydroxyl group of the toxic payload molecule is further disclosed.

  本发明公开了一种由通过 O 型糖苷键与有毒有效载荷分子的羟基结合的糖组成的分子。还公开了一种抗体-药物共轭物，包括与毒性有效载荷分子共价结合的抗体（可选择通过连接基团），以及通过 O-糖苷键与毒性有效载荷分子的羟基结合的糖。
• Saccharide Derivative of a Toxic Payload and Antibody Conjugates Thereof
  申请人：Glykos Finland Oy

  公开号：US20210106689A1

  公开（公告）日：2021-04-15

  A molecule comprising a saccharide bound via an O-glycosidic bond to a hydroxyl group of a toxic payload molecule is disclosed. An antibody-drug conjugate comprising an antibody covalently bound to a toxic payload molecule, optionally via a linker group, and a saccharide bound via an O-glycosidic bond to a hydroxyl group of the toxic payload molecule is further disclosed.