tert-butyl 2-(4-ethynylphenylamino)-2-oxoethylcarbamate | 1009319-48-5

• 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: tert-butyl 2-(4-ethynylphenylamino)-2-oxoethylcarbamate
• 英文别名: tert-butyl N-[2-(4-ethynylanilino)-2-oxoethyl]carbamate
• CAS: 1009319-48-5
• 化学式: C₁₅H₁₈N₂O₃
• 分子量: 274.32
• InChiKey: RVRCEOGWVBGQJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(4-ethynylphenylamino)-2-oxoethylcarbamate 在 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以95%的产率得到2-amino-N-(4-ethynylphenyl)acetamide
  参考文献：
  名称：

  Evaluation of the antibacterial and antibiofilm activities of novel CRAMP–vancomycin conjugates with diverse linkers

  摘要：

  CRAMP（与抗菌肽相关的防御素）和万古霉素的共轭物通过使用多样的亲水性和疏水性连接剂进行点击化学合成。

  DOI：

  10.1039/c5ob00830a
• 作为产物：
  描述：

  BOC-甘氨酸 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 tert-butyl 2-(4-ethynylphenylamino)-2-oxoethylcarbamate
  参考文献：
  名称：

  Evaluation of the antibacterial and antibiofilm activities of novel CRAMP–vancomycin conjugates with diverse linkers

  摘要：

  CRAMP（与抗菌肽相关的防御素）和万古霉素的共轭物通过使用多样的亲水性和疏水性连接剂进行点击化学合成。

  DOI：

  10.1039/c5ob00830a

文献信息

• Non-peptidic substrate-mimetic inhibitors of Akt as potential anti-cancer agents
  作者：Katherine J. Kayser-Bricker、Matthew P. Glenn、Sang Hoon Lee、Said M. Sebti、Jin Q. Cheng、Andrew D. Hamilton

  DOI：10.1016/j.bmc.2008.09.058

  日期：2009.2

  Akt has emerged as a critical target for the development of anti-cancer therapies. It has been found to be amplified, overexpressed, or constitutively activated in numerous human malignancies with oncogenesis derived from the simultaneous promotion of cell survival and suppression of apoptosis. A valuable alternative to the more common ATP-mimetic based chemotherapies is a substrate-mimetic approach, which has the potential advantage of inherent specificity of the substrate-binding pocket. In this paper we present the development of high affinity non-peptidic, substrate-mimetic inhibitors based on the minimum GSK3 beta substrate sequence. Optimization of initial peptidic leads resulted in the development of several classes of small molecule inhibitors, which have comparable potency to the initial peptidomimetics, while eliminating the remaining amino acid residues. We have identified the first non-peptidic substrate-mimetic lead inhibitors of Akt 29a-b, which have affinities of 17 and 12 mu M, respectively. This strategy has potential to provide a useful set of molecular probes to assist in the validation of Akt as a potential target for anti-cancer drug design. (C) 2009 Published by Elsevier Ltd.
• WO2008/70823
  申请人：——

  公开号：——

  公开（公告）日：——
• A Submicrogram-Scale Protocol for Biomolecule-Based PET Imaging by Rapid 6π-Azaelectrocyclization: Visualization of Sialic Acid Dependent Circulatory Residence of Glycoproteins
  作者：Katsunori Tanaka、Tatsuro Masuyama、Koki Hasegawa、Tsuyoshi Tahara、Hiroshi Mizuma、Yasuhiro Wada、Yasuyoshi Watanabe、Koichi Fukase

  DOI：10.1002/anie.200702989

  日期：2008.1
• EP2128124
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL HEXATRIENE-BETA-CARBONYL COMPOUND
  申请人：Fukase Koichi

  公开号：US20100008857A1

  公开（公告）日：2010-01-14

  A label with which labeling is easy when labeling a molecule, i.e., a label that has a high reaction rate upon labeling and that produces a high reaction yield, as well as a precursor for the production of the label are provided. This is achieved by a hexatriene-β-carbonyl compound represented by Formula (I), a hexatriene-β-carbonyl compound represented by Formula (II), a hexatriene-β-carbonyl compound represented by Formula (III) and a hexatriene-β-carbonyl compound represented by Formula (IV). (wherein R 1 , R 2 , R 3 , R 4 , R 5 , X 1 , X 2 and Z are as defined in the specification)