ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate | 1413378-27-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
• CAS: 1413378-27-4
• 化学式: C₉₁H₁₄₄N₄O₂₃
• 分子量: 1662.16
• InChiKey: SVIWRXDYUQADQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  118
• 可旋转键数：
  61
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  362
• 氢给体数：
  4
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate 在 甲酸 作用下， 以 水 为溶剂， 反应 8.0h， 以96%的产率得到4-Fmoc-amino-4-(3-oxo-3-((1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl)amino)propyl)-N1,N7-bis(1,5-dicarboxy-3-(2-carboxyethyl )pentan-3-yl )heptanediamide
  参考文献：
  名称：

  POLYAMIDE BASED PEPTIDODENDRIMER CONJUGATES

  摘要：

  本发明涉及单功能和双功能的肽基树状分子共轭物，其中包含与单纯疱疹病毒-1糖蛋白衍生肽共轭的聚酰胺树状分子。还公开了含有这些肽基树状分子共轭物的制药组合物以及使用这些肽基树状分子共轭物的方法（例如，抑制HSV-1病毒进入和治疗或预防HSV-1感染）。

  公开号：

  US20160228565A1
• 作为产物：
  描述：

  氯甲酸-9-芴基甲酯 、 N,N',N''-tris[tris(2-tert-butoxycarbonyl-ethyl)methyl]-3,3',3''-(1-aminomethanetriyl)tripropanamide 在 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以83%的产率得到ditert-butyl 4-[[7-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[(2-methylpropan-2-yl)oxy]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxoheptanoyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
  参考文献：
  名称：

  POLYAMIDE BASED PEPTIDODENDRIMER CONJUGATES

  摘要：

  本发明涉及单功能和双功能的肽基树状分子共轭物，其中包含与单纯疱疹病毒-1糖蛋白衍生肽共轭的聚酰胺树状分子。还公开了含有这些肽基树状分子共轭物的制药组合物以及使用这些肽基树状分子共轭物的方法（例如，抑制HSV-1病毒进入和治疗或预防HSV-1感染）。

  公开号：

  US20160228565A1

文献信息

• Modification of a Dioxygen Carrier, HemoCD, with PEGylated Dendrons for Extension of Circulation Time in the Bloodstream
  作者：Keiichi Karasugi、Hiroaki Kitagishi、Koji Kano

  DOI：10.1021/bc300303z

  日期：2012.12.19

  A supramolecular diatomic receptor, hemoCD, was modified with PEGylated dendrons to extend its circulation time in the bloodstream. The core component was 4-oxo-4-[[4-(10,15,20-tris(4-sulfonatophenyl)-21H,23H-porphin-5-yl)phenyl]amino]butanoic acid (Por-COOH). The building block of the dendrons was Fmoc-4-amino-4-(2-carboxyethyl)heptanedioic acid (FmocTA), which was condensed with alpha-amino-omega-methoxy-poly(ethylene glycol) (PEG(5000)-NH2) to yield an FmocG1-dendron. After deprotection, the G1-dendron was condensed with Por-COOH to yield G1-Por. A precursor (FmocNA) of an FmocG2-dendron was prepared via a condensation reaction of 4-amino-4-(2-t-butoxycarbonylethyl)heptanedioic acid di-t-butyl ester (TA-E) with FmocTA followed by hydrolysis of the resultant nona-carboxylic acid nona-t-butyl ester. Condensation of FmocNA with PEG(5000)-NH2 yielded an FmocG2-dendron. After deprotection, the G2-dendron was condensed with Por-COOH to yield G2-Por. The ferrous complexes of G1- and G2-Pors formed stable 1:1 inclusion complexes with Py3CD, a per-O-methylated beta-cyclodextrin dimer with a pyridine linker, in aqueous solution yielding supramolecular complexes designated as G1-hemoCD and G2-hemoCD, respectively. Both G1- and G2-hemoCDs bound molecular oxygen, with the O-2 affinities (P-1/2) of hemoCD, G1-, and G2-hemoCDs at pH 7.4 and 37 degrees C being 22, 20, and 20 Torr, respectively. The modification of hemoCD with the dendrons did not cause destabilization of the O-2 adducts via autoxidation, as indicated by their half-lives (t(1/2)) of 6.8, 6.1, and 5.5 h for hemoCD, G1-, and G2-hemoCDs, respectively. The blood concentration time curves of G1- and G2-hemoCDs injected into the bloodstream of rats exhibited two phases, with the half-lives of the fast and slow decays being 0.45 and 5.3 h, respectively, for G1-hemoCD, and 0.20 and 12.8 h, respectively, for G2-hemoCD. The half-lives of hemoCD were 0.02 and 0.50 h, respectively. The circulation time of hemoCD was markedly extended by its modification with the PEGylated dendrons, which was very effective in protecting hemoCD against opsonization for uptake by the reticuloendothelial system.