Boc-D-Phe-ψ[(E)-C(CH3)=CH]-Ala-Val-Orn(Cbz)-Leu-OMe | 914955-67-2

• 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: Boc-D-Phe-ψ[(E)-C(CH3)=CH]-Ala-Val-Orn(Cbz)-Leu-OMe
• CAS: 914955-67-2
• 化学式: C₄₄H₆₅N₅O₉
• 分子量: 808.028
• InChiKey: IFXGICUIERYOCD-BSTGCFHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.74
• 重原子数：
  58.0
• 可旋转键数：
  21.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  190.26
• 氢给体数：
  5.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  Boc-D-Phe-ψ[(E)-C(CH3)=CH]-Ala-Val-Orn(Cbz)-Leu-OMe 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.83h， 生成 (S)-2-{(S)-2-[(S)-2-((E)-(2R,5R)-5-Amino-2,4-dimethyl-6-phenyl-hex-3-enoylamino)-3-methyl-butyrylamino]-5-benzyloxycarbonylamino-pentanoylamino}-4-methyl-pentanoic acid methyl ester
  参考文献：
  名称：

  Trisubstituted (E)-Alkene Dipeptide Isosteres as β-Turn Promoters in the Gramicidin S Cyclodecapeptide Scaffold

  摘要：

  A concise synthesis of a gramicidin S analogue with trisubstituted (E)-alkene dipeptide isostere (TEADI) replacements at both D-Phe-Pro positions was realized. Conformational analysis demonstrated that TEADIs can serve as type II beta-turn promoters in a cyclic scaffold and successfully mimic a proline residue.

  DOI：

  10.1021/ol0617704
• 作为产物：
  描述：

  L-亮氨酸甲酯盐酸盐 在 盐酸 、 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 1,4-二氧六环 、 氯仿 为溶剂， 反应 37.0h， 生成 Boc-D-Phe-ψ[(E)-C(CH3)=CH]-Ala-Val-Orn(Cbz)-Leu-OMe
  参考文献：
  名称：

  Trisubstituted (E)-Alkene Dipeptide Isosteres as β-Turn Promoters in the Gramicidin S Cyclodecapeptide Scaffold

  摘要：

  A concise synthesis of a gramicidin S analogue with trisubstituted (E)-alkene dipeptide isostere (TEADI) replacements at both D-Phe-Pro positions was realized. Conformational analysis demonstrated that TEADIs can serve as type II beta-turn promoters in a cyclic scaffold and successfully mimic a proline residue.

  DOI：

  10.1021/ol0617704

文献信息

• TARGETED NITROXIDE AGENTS
  申请人：Wipf Peter

  公开号：US20100035869A1

  公开（公告）日：2010-02-11

  Provided herein are compositions and related methods useful for free radical scavenging, with particular selectivity for mitochondria. The compounds comprise a nitroxide-containing group attached to a mitochondria-targeting group. The compounds can be cross-linked into dimers without loss of activity. Also provided herein are methods, for preventing, mitigating and treating damage caused by radiation. The method comprises delivering a compound, as described herein, to a patient in an amount and dosage regimen effective to prevent, mitigate or treat damage caused by radiation.

  本文提供了一种对自由基清除有用的组合物和相关方法，具有特定选择性作用于线粒体。这些化合物包括一个连接到线粒体靶向基团的亚硝基含有基团。这些化合物可以交联成二聚体而不丧失活性。本文还提供了一种用于预防、缓解和治疗辐射引起的损伤的方法。该方法包括向患者输送一种如本文所述的化合物，以有效地预防、缓解或治疗辐射引起的损伤。