(2Z,4E,6S,8R,9Z,12S,20R,21E,23Z,25Z,28S)-20-methoxy-12,28-bis[(E)-2-methyl-3-oxohex-4-en-2-yl]-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione | 1011734-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2Z,4E,6S,8R,9Z,12S,20R,21E,23Z,25Z,28S)-20-methoxy-12,28-bis[(E)-2-methyl-3-oxohex-4-en-2-yl]-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione
• CAS: 1011734-75-0
• 化学式: C₄₃H₅₀N₂O₁₀
• 分子量: 754.877
• InChiKey: DALDVNJNBKDYSV-PRCJPGLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  55
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  161
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (2Z,4E,6S,8R,9Z,12S,20R,21E,23Z,25Z,28S)-20-methoxy-12,28-bis[(E)-2-methyl-3-oxohex-4-en-2-yl]-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione 在 2,2,2-三氟乙醇 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 Fmoc-Arg(Pbf)-Gly-OH
  参考文献：
  名称：

  WO2008/23378

  摘要：

  公开号：
• 作为产物：
  描述：

  2-chlorotrityl resin 、 C₃₈H₄₃N₅O₉S 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 (2Z,4E,6S,8R,9Z,12S,20R,21E,23Z,25Z,28S)-20-methoxy-12,28-bis[(E)-2-methyl-3-oxohex-4-en-2-yl]-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione
  参考文献：
  名称：

  WO2008/23378

  摘要：

  公开号：

文献信息

• Morpholine-based RGD-cyclopentapeptides as αvβ3/αvβ5 integrin ligands: Role of configuration towards receptor binding affinity
  作者：Nicoletta Cini、Andrea Trabocchi、Gloria Menchi、Anna Bottoncetti、Silvia Raspanti、Alberto Pupi、Antonio Guarna

  DOI：10.1016/j.bmc.2009.01.006

  日期：2009.2

  Two c[RGDfX] cyclopeptides, having either L- or D-morpholine-3-COOH (Mor) as the X amino acid were developed as ligands for alpha(v)beta(3)/alpha(v)beta(5) integrins. Biological assays showed only D-Mor-containing cyclopentapeptide capable to bind alpha(v)beta(3) integrin with a low nanomolar affinity according to a two-site model, thus revealing a connection between the configuration of Mor and the preferred binding to alpha(v)beta(3) integrin. Conformational analysis showed different structural preferences for the two peptides induced by the two enantiomeric cyclic amino acids, suggesting a role of the stereochemistry of Mor on the overall peptide conformation and on the presentation of the pharmacophoric Arg and Asp side chains. (c) 2009 Elsevier Ltd. All rights reserved.
• CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF
  申请人：Guenther Eckhard

  公开号：US20080090758A1

  公开（公告）日：2008-04-17

  The present invention provides conjugates of disorazoles and their derivatives with cell-binding molecules, such as peptides, proteins, hormones, blood proteins and antibodies. The present invention further provides novel disorazole derivatives and processes of manufacturing such conjugates and disorazole derivatives. These compounds can be used as medicaments for the treatment of physiological and/or pathophysiological conditions in mammals, in particular for the treatment of various tumors.
• US7741277B2
  申请人：——

  公开号：US7741277B2

  公开（公告）日：2010-06-22
• US8470776B2
  申请人：——

  公开号：US8470776B2

  公开（公告）日：2013-06-25