H-Lys-cyclo(D-Cys-Ile-Leu-Cys)-Arg-Leu-Leu-Gln-NH₂ | 459844-34-9

• 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: H-Lys-cyclo(D-Cys-Ile-Leu-Cys)-Arg-Leu-Leu-Gln-NH₂
• 英文别名: H-Lys-D-Cys(1)-Ile-Leu-Cys(1)-Arg-Leu-Leu-Gln-NH2；(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S)-10-[(2S)-butan-2-yl]-13-[[(2S)-2,6-diaminohexanoyl]amino]-7-(2-methylpropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanediamide
• CAS: 459844-34-9
• 化学式: C₄₇H₈₇N₁₅O₁₀S₂
• 分子量: 1086.43
• InChiKey: NFTYPTBFCKBYEY-OQLVADMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  74
• 可旋转键数：
  30
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  486
• 氢给体数：
  14
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  H-Lys-D-Cys-Ile-Leu-Cys-Arg-Leu-Leu-Gln-NH₂ 在 ammonium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 H-Lys-cyclo(D-Cys-Ile-Leu-Cys)-Arg-Leu-Leu-Gln-NH₂
  参考文献：
  名称：

  Structural development of stabilized helical peptides as inhibitors of estrogen receptor (ER)-mediated transcription

  摘要：

  Three types of stabilized helical peptides containing disulfide bonds, C-C cross-linked side chains, or alpha, alpha-disubstituted amino acids (2-aminoisobutyric acid (Aib)) were designed and synthesized as inhibitors of estrogen receptor (ER)-coactivator interactions. Furthermore, heptaarginine (R7)-conjugated versions of the peptides were prepared, and their effects on ER-mediated transcription were evaluated at the cellular level (in ER-positive T47D cells). Among them, the R7-conjugated peptides 11 and 12 downregulated the mRNA expression of pS2 (an ER-mediated gene whose expression is upregulated by 17 beta-estradiol) by 95% (at a dose of 10 mu M) and 87% (at a dose of 3 mu M), respectively. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.06.067