N2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-N6-(pyridine-3-carbonyl)-L-lysine | 252049-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-N6-(pyridine-3-carbonyl)-L-lysine
• 英文别名: (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-(nicotinamido)hexanoic acid；Fmoc-Lys(nicotinoyl)-OH；(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(pyridine-3-carbonylamino)hexanoic acid
• CAS: 252049-11-9
• 化学式: C₂₇H₂₇N₃O₅
• 分子量: 473.528
• InChiKey: CRRQIRUSEYKWPF-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-di-tert-butyl 2-(3-((S)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl)ureido)pentanedioate 、 N2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-N6-(pyridine-3-carbonyl)-L-lysine 在 N-甲基吗啉 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以280 mg的产率得到tri-tert-butyl (5S,12S,16S)-1-(9H-fluoren-9-yl)-3,6,14-trioxo-5-{4-[(pyridine-3-carbonyl)amino]butyl}-2-oxa-4,7,13,15-tetraazaoctadecane-12,16,18-tricarboxylate
  参考文献：
  名称：

  [EN] TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER
  [FR] PRODUITS RADIOPHARMACEUTIQUES CIBLÉS POUR LE DIAGNOSTIC ET LE TRAITEMENT DU CANCER DE LA PROSTATE

  摘要：

  通用式(I)的化合物：其中：n为1、2或3；R1、R2、R3和R4独立地代表OH或Q；Q代表从群组中选择的组织靶向基团，或其立体异构体、水合物、溶剂合物、盐或其混合物，制备所述化合物的方法，用于制备所述化合物的中间化合物，包含所述化合物的药物组合物和组合物，以及用于制造用于治疗或预防疾病的药物组合物的所述化合物的用途，特别是软组织疾病的治疗或预防，作为唯一药剂或与其他活性成分结合使用。

  公开号：

  WO2021013978A1
• 作为产物：
  描述：

  (S)-methyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-(nicotinamido)hexanoate 在 水 、 calcium chloride 、 sodium hydroxide 、 溶剂黄146 作用下， 以 异丙醇 、 水 为溶剂， 反应 5.0h， 以57%的产率得到N2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-N6-(pyridine-3-carbonyl)-L-lysine
  参考文献：
  名称：

  Nε-Modified lysine containing inhibitors for SIRT1 and SIRT2

  摘要：

  Sirtuins catalyze the NAD(+) dependent deacetylation of N-epsilon-acetyl lysine residues to nicotinamide, O '-acetyl- ADP-ribose (OAADPR) and N-epsilon-deacetylated lysine. Here, an easy-to-synthesize Ac-Ala-Lys-Ala sequence has been used as a probe for the screening of novel N-epsilon-modified lysine containing inhibitors against SIRT1 and SIRT2. N-epsilon-Selenoacetyl and N-epsilon-isothiovaleryl were the most potent moieties found in this study, comparable to the widely studied N-epsilon-thioacetyl group. The N-epsilon-3,3-dimethylacryl and N-epsilon-isovaleryl moieties gave significant inhibition in comparison to the N-epsilon-acetyl group present in the substrates. In addition, the studied N-epsilon-alkanoyl, N-epsilon-alpha,beta-unsaturated carbonyl and N-epsilon-aroyl moieties showed that the acetyl binding pocket can accept rather large groups, but is sensitive to even small changes in electronic and steric properties of the N-epsilon-modification. These results are applicable for further screening of Ne-acetyl analogues. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.035

文献信息

• MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA
  申请人：Lee Jinbo

  公开号：US20100152099A1

  公开（公告）日：2010-06-17

  The invention provides macrocyclic compounds and methods for their synthesis and use. In particular, the invention provides macrocyclic compounds that modulate the activity of tumor necrosis factor alpha and/or are useful in the treatment of medical conditions, such as, rheumatoid arthritis, psoriasis, and asthma.

  该发明提供了大环化合物及其合成和使用方法。具体而言，该发明提供了调节肿瘤坏死因子α活性和/或用于治疗医学状况（如类风湿性关节炎、银屑病和哮喘）的大环化合物。
• Methods for synthesis of encoded libraries
  申请人：Morgan Barry

  公开号：US20070042401A1

  公开（公告）日：2007-02-22

  The present invention provides a method of synthesizing libraries of molecules which include an encoding oligonucleotide tag.
• Methods for identifying compounds of interest using encoded libraries
  申请人：Morgan Barry

  公开号：US20070224607A1

  公开（公告）日：2007-09-27

  The present invention provides a method for identifying a compound of interest by screening libraries of molecules which include an encoding oligonucleotide tag.
• METHODS FOR SYNTHESIS OF ENCODED LIBRARIES
  申请人：MORGAN Barry

  公开号：US20110136697A1

  公开（公告）日：2011-06-09

  The present invention provides a method of synthesizing libraries of molecules which include an encoding oligonucleotide tag.
• METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES
  申请人：Morgan Barry

  公开号：US20120071329A1

  公开（公告）日：2012-03-22

  The present invention provides a method for identifying a compound of interest by screening libraries of molecules which include an encoding oligonucleotide tag.