Boc-NH-CH((CH2)3NHZ)-CH2-S-CO-CH3 | 233689-90-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Boc-NH-CH((CH2)3NHZ)-CH2-S-CO-CH3
• 英文别名: S-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentyl] ethanethioate
• CAS: 233689-90-2
• 化学式: C₂₀H₃₀N₂O₅S
• 分子量: 410.535
• InChiKey: FWXVLJYORSLCKD-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Boc-NH-CH((CH2)3NHZ)-CH2-S-CO-CH3 在 ruthenium trichloride sodium periodate 、 磺酰氯 、 氨 、 氢气 、 乙酸酐 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 7.0h， 生成 tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-sulfamoylpentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
  参考文献：
  名称：

  Synthesis of α- and β-Substituted Aminoethane Sulfonamide Arginine-Glycine Mimics

  摘要：

  In this paper we present a synthesis of both alpha- and beta-substituted aminoethane sulfonamide arginine mimics. The alpha-substituted sulfonamides were obtained starting from an alkene, whereas the beta-substituted sulfonamides were derived from an amino acid derivative.

  DOI：

  10.1002/1099-0690(200004)2000:7<1219::aid-ejoc1219>3.0.co;2-p
• 作为产物：
  描述：

  (S)-benzyl tert-butyl (5-hydroxypentane-1,4-diyl)dicarbamate 在 caesium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 Boc-NH-CH((CH2)3NHZ)-CH2-S-CO-CH3
  参考文献：
  名称：

  Synthesis of α- and β-Substituted Aminoethane Sulfonamide Arginine-Glycine Mimics

  摘要：

  In this paper we present a synthesis of both alpha- and beta-substituted aminoethane sulfonamide arginine mimics. The alpha-substituted sulfonamides were obtained starting from an alkene, whereas the beta-substituted sulfonamides were derived from an amino acid derivative.

  DOI：

  10.1002/1099-0690(200004)2000:7<1219::aid-ejoc1219>3.0.co;2-p

文献信息

• The synthesis of a new class of oxytocin antagonists
  作者：Kazimierz Wiśniewski、Jerzy Trojnar、Pierre Riviere、Robert Haigh、Chris Yea、Doreen Ashworth、Per Melin、Anders Nilsson

  DOI：10.1016/s0960-894x(99)00478-3

  日期：1999.10

  The synthesis of a new class of oxytocin antagonists, with significantly modified C-terminal part, is described. The chemistry of the Mitsunobu reaction was applied to obtain the key derivatives. In spite of the extensive modifications of previously described compound F792, the peptides retain biological activity as oxytocin antagonists. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Synthesis of α- and β-Substituted Aminoethane Sulfonamide Arginine-Glycine Mimics
  作者：Dennis W. P. M. Lowik、Rob M. J. Liskamp

  DOI：10.1002/1099-0690(200004)2000:7<1219::aid-ejoc1219>3.0.co;2-p

  日期：2000.4

  In this paper we present a synthesis of both alpha- and beta-substituted aminoethane sulfonamide arginine mimics. The alpha-substituted sulfonamides were obtained starting from an alkene, whereas the beta-substituted sulfonamides were derived from an amino acid derivative.