(1S)-2-(1H-indol-3-yl)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine | 552323-60-1

• 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: (1S)-2-(1H-indol-3-yl)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
• 英文别名: (2S)-1-(1H-indol-3-yl)-3-[5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxypropan-2-amine
• CAS: 552323-60-1
• 化学式: C₂₃H₂₂N₄O
• 分子量: 370.454
• InChiKey: SGHXFHRRWFLILP-XJDXJNMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1S)-2-(1H-indol-3-yl)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine 在 三氟乙酸 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 、 乙腈 为溶剂， 生成 1-(1H-indol-3-yl)-3-({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)propan-2-ol
  参考文献：
  名称：

  Kinase inhibitors

  摘要：

  具有以下化学式的化合物对抑制蛋白激酶很有用。还公开了抑制蛋白激酶的组合物以及在患者中抑制蛋白激酶的方法。

  公开号：

  US20030187026A1
• 作为产物：
  描述：

  (S)-1-(5-溴吡啶-3-基氧基)-3-(1H-吲哚-3-基)丙烷-2-氨基甲酸叔丁酯 在 palladium diacetate 、 三(邻甲基苯基)磷 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 10.0h， 生成 (1S)-2-(1H-indol-3-yl)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
  参考文献：
  名称：

  Discovery of trans-3,4′-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation

  摘要：

  A novel series of Akt/PKB inhibitors derived from a screening lead (1) has been prepared. The novel trans-3,4'-bispyridinylethylenes described herein are potent inhibitors of Akt/PKB with IC50 values in the low double-digit nanomolar range against Akt1. Compound 2q shows excellent selectivity against distinct families of kinases such as tyrosine kinases and CAMK, and displays poor to modest selectivity against closely related kinases in the AGC and CMGC families. The cellular activities including inhibition of cell growth and phosphorylation of downstream target GSK3 are also described. The X-ray structure of compound 2q complexed with PKA in the ATP binding site was determined. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.017

文献信息

• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• US6831175B2
  申请人：——

  公开号：US6831175B2

  公开（公告）日：2004-12-14