9H-fluoren-9-ylmethyl N-[(2R)-1-[[2,4-di(docosoxy)phenyl]methyl-[(2,4-dimethoxyphenyl)methyl]amino]-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-1-oxopropan-2-yl]carbamate | 1425054-07-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 9H-fluoren-9-ylmethyl N-[(2R)-1-[[2,4-di(docosoxy)phenyl]methyl-[(2,4-dimethoxyphenyl)methyl]amino]-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-1-oxopropan-2-yl]carbamate
• CAS: 1425054-07-4
• 化学式: C₉₈H₁₃₈N₂O₈S
• 分子量: 1504.25
• InChiKey: PSRXJPIBTKIRPW-OMFLTLASSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.8
• 重原子数：
  109
• 可旋转键数：
  62
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  9H-fluoren-9-ylmethyl N-[(2R)-1-[[2,4-di(docosoxy)phenyl]methyl-[(2,4-dimethoxyphenyl)methyl]amino]-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-1-oxopropan-2-yl]carbamate 在 哌啶 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成
  参考文献：
  名称：

  Total synthesis of α-conotoxin MII using a soluble-tag-assisted method

  摘要：

  Oxidative disulfide bond formations have been applied to soluble-tag-assisted method successfully to realize the total synthesis of alpha-conotoxin MII (4) that comprises 16 amino acid residues and possesses 2 disulfide bonds. Orthogonal peptide folding using DEAD and iodine oxidations in combination with Mmt and Acm groups for the side chain protection of cysteines could be carried out with no peptide aggregation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.068
• 作为产物：
  描述：

  N-[[2,4-di(docosoxy)phenyl]methyl]-1-(2,4-dimethoxyphenyl)methanamine 、 Fmoc-S-(4-甲氧基三苯甲基)-L-半胱氨酸 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 9H-fluoren-9-ylmethyl N-[(2R)-1-[[2,4-di(docosoxy)phenyl]methyl-[(2,4-dimethoxyphenyl)methyl]amino]-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanyl-1-oxopropan-2-yl]carbamate
  参考文献：
  名称：

  Total synthesis of α-conotoxin MII using a soluble-tag-assisted method

  摘要：

  Oxidative disulfide bond formations have been applied to soluble-tag-assisted method successfully to realize the total synthesis of alpha-conotoxin MII (4) that comprises 16 amino acid residues and possesses 2 disulfide bonds. Orthogonal peptide folding using DEAD and iodine oxidations in combination with Mmt and Acm groups for the side chain protection of cysteines could be carried out with no peptide aggregation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.068

文献信息

• Total synthesis of α-conotoxin MII using a soluble-tag-assisted method
  作者：Shingo Kitada、Shuji Fujita、Yohei Okada、Shokaku Kim、Kazuhiro Chiba

  DOI：10.1016/j.tet.2013.01.068

  日期：2013.3

  Oxidative disulfide bond formations have been applied to soluble-tag-assisted method successfully to realize the total synthesis of alpha-conotoxin MII (4) that comprises 16 amino acid residues and possesses 2 disulfide bonds. Orthogonal peptide folding using DEAD and iodine oxidations in combination with Mmt and Acm groups for the side chain protection of cysteines could be carried out with no peptide aggregation. (C) 2013 Elsevier Ltd. All rights reserved.