benzyl pentan-3-ylcarbamate | 909906-71-4

• 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: benzyl pentan-3-ylcarbamate
• 英文别名: benzyl N-pentan-3-ylcarbamate
• CAS: 909906-71-4
• 化学式: C₁₃H₁₉NO₂
• mdl: MFCD32716863
• 分子量: 221.299
• InChiKey: XTVPHPVYJFWIHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  benzyl pentan-3-ylcarbamate 在 正丁基锂 、 N-叔丁基苯硫腈氯化物 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  A mild and convenient synthesis of N-carbobenzyloxy ketimines

  摘要：

  N-苄氧羰基（Cbz）酮亚胺可通过N-Cbz胺与N-叔丁基苯亚磺酰亚胺氯的氧化反应方便地制备。

  DOI：

  10.1039/b605882e
• 作为产物：
  描述：

  氯甲酸苄酯 、 3-氨基戊烷 在 sodium hydroxide 作用下， 以 乙醚 为溶剂， 生成 benzyl pentan-3-ylcarbamate
  参考文献：
  名称：

  A mild and convenient synthesis of N-carbobenzyloxy ketimines

  摘要：

  N-苄氧羰基（Cbz）酮亚胺可通过N-Cbz胺与N-叔丁基苯亚磺酰亚胺氯的氧化反应方便地制备。

  DOI：

  10.1039/b605882e

文献信息

• Design, synthesis and SAR of antitubercular benzylpiperazine ureas
  作者：Sohal Satish、Rohan Chitral、Amitkumar Kori、Basantkumar Sharma、Jayashree Puttur、Afreen A. Khan、Deepali Desle、Kavita Raikuvar、Aaron Korkegian、Elvis A. F. Martis、Krishna R. Iyer、Evans C. Coutinho、Tanya Parish、Santosh Nandan

  DOI：10.1007/s11030-020-10158-3

  日期：2022.2

  With the aim of delineating the SAR associated with (I), fifty-five analogs were synthesized and screened against Mtb. The SAR suggests that the piperazine ring, benzyl urea and piperonyl moieties are essential signatures of this series. Active compounds in this series are metabolically stable, have low cellular toxicity and are valuable leads for optimization. Molecular docking suggests these molecules

  摘要 GSK Tres Cantos 的科学家披露的N-糠基哌嗪脲被选为来自表型全细胞筛选的抗分枝杆菌。用苯环取代 GSK Tres Cantos 分子中的呋喃环产生的分子 ( I ) 对Mtb H37Rv 的 MIC 为 1 μM，细胞毒性低（HepG2 IC 50  ~ 80 μM），良好的 DMPK 特性和特异性山地车_ 为了描绘与 ( I ) 相关的 SAR，合成了 55 种类似物并针对Mtb进行了筛选. SAR 表明哌嗪环、苄基脲和胡椒基部分是该系列的基本特征。该系列中的活性化合物代谢稳定，细胞毒性低，是优化的宝贵线索。分子对接表明这些分子像 Q203 一样占据 QcrB 的 Q0 位点。 图形摘要 N-糠基哌嗪-1-羧酰胺的生物等排替代产生了分子 (I) 一种具有令人满意的 PD、代谢和毒性特征的新型先导。
• Stereoselective direct reductive amination of ketones with electron-deficient amines using Re2O7/NaPF6 catalyst
  作者：Braja Gopal Das、Prasanta Ghorai

  DOI：10.1039/c3ob40918j

  日期：——

  The first example of direct reductive amination (DRA) of ketones with electron-deficient amines (EDA) such as Cbz-, Boc-, EtOCO-, Fmoc-, Bz-, ArSO2-, etc. protected amines have been achieved using catalytic Re2O7/NaPF6. Excellent chemoselectivities as well as diastereoselectivity (for 2-alkyl cyclohexanones) were obtained.

  首次实现了使用催化剂Re2O7/NaPF6直接还原胺化（DRA）酮与电子贫乏的胺（EDA）如Cbz-、Boc-、EtOCO-、Fmoc-、Bz-、ArSO2-等保护的胺。获得了优异的化学选择性和对映选择性（对于2-烷基环己酮）。
• VERFAHREN ZUR SELEKTIVEN BINDUNG EINES SUBSTRATS AN SORBENTIEN DURCH MINDESTENS BIVALENTE BINDUNG
  申请人：InstrAction GmbH

  公开号：EP1613420B1

  公开（公告）日：2015-05-13
• Method for selectively binding a substrate to sorbents by way of at least bivalent bonds
  申请人：Gottschall Klaus

  公开号：US20110257028A1

  公开（公告）日：2011-10-20

  A method for the manufacture of at least one sorbent having at least two different groups, which are capable of binding, for the selective binding of a substrate, characterized in that it comprises the steps (i) to (ii): (i) determining at least two groups capable of binding a sorbent from a synthetic or natural first substrate, (ii) respectively applying at least two different groups capable of binding a second synthetic or natural substrate to one respective carrier, thereby forming at least one sorbent, whereby the groups are the same groups of step (i) or are groups that are complementary thereto, and the second substrate of step (ii) is the same or different from the first substrate according to step (i), and whereby the groups are determined such that the contributions of the Gibbs energies of the individual groups to the non-covalent bond with the second substrate yield a negative value of the Gibbs energy ΔG, such that a binding strengthening occurs that results in an improved separation selectivity with respect to at least one substance to be separated off.
• GLP-1 Derivatives and Uses Thereof
  申请人：Novo Nordisk A/S

  公开号：US20170320927A1

  公开（公告）日：2017-11-09

  The invention relates to a derivative of a GLP-1 analogue of a general Formula I, which derivative comprises a side chain attached to a Lys residue at position 34, 35, 36, 37, or 38 of the GLP-1 analogue, which side chain comprises a Branched linker, a 1 st and a 2 nd Protractor selected from C18 diacid, C20 diacid, and sulfonic acid C16, and at least one Linker element-1 incorporating ethylene glycol units. Linker element-1 may be incorporated in an optional Pre-linker, and/or in a 1 st or 2 nd Post-linker. The invention also relates to novel GLP-1 analogues, novel side chain intermediate products and their manufacture and use to prepare derivatives of biologically active peptides and proteins, as well as pharmaceutical compositions and medical uses of the analogues and derivatives. The derivatives have very long half-lives while maintaining a satisfactory potency, which makes them potentially suitable for once-monthly administration.