c(CMQYTTPNYC) | 1394940-62-5

• 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: c(CMQYTTPNYC)
• 英文别名: H-Cys(1)-Met-Gln-Tyr-Thr-Thr-Pro-Asn-Tyr-Cys(1)-OH；(3S,6S,9S,12S,15S,18R,23R,26S,29S,32S)-18-amino-29-(2-amino-2-oxoethyl)-12-(3-amino-3-oxopropyl)-3,6-bis[(1R)-1-hydroxyethyl]-9,26-bis[(4-hydroxyphenyl)methyl]-15-(2-methylsulfanylethyl)-2,5,8,11,14,17,25,28,31-nonaoxo-20,21-dithia-1,4,7,10,13,16,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-23-carboxylic acid
• CAS: 1394940-62-5
• 化学式: C₅₁H₇₂N₁₂O₁₇S₃
• 分子量: 1221.4
• InChiKey: DWTJUIPEMFFYTR-FBTLNAABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5
• 重原子数：
  83
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  559
• 氢给体数：
  16
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  c(CMQYTTPNYC) 在 air 作用下， 以 aq. buffer 为溶剂， 反应 10.0h， 生成 c(CMQYTTPNYC)
  参考文献：
  名称：

  Evaluation of dimerization–inhibitory activities of cyclic peptides containing a β-hairpin loop sequence of the EGF receptor

  摘要：

  Structure-activity relationships of cyclic peptides mimicking the beta-hairpin structure of the 'dimerization arm' at residues 242-259 of the EGF receptor are examined. Cyclic peptides containing the arm head of the beta-hairpin loop showed inhibitory activity toward the EGF receptor's dimerization. Cyclic peptides containing a Retro-Inverso sequence of the dimerization arm showed clear inhibitory effects on the dimerization in vitro and efficiently suppressed the proliferation of A431 cells, which abundantly express the EGF receptor on their surface. The effects at a specific hydrophobic site of the loop structure were expected to enhance the interactions with the receptor. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.08.013