5,5-dimethyl-2-(1-(methylamino)ethylidene)cyclohexane-1,3-dione | 944-51-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 英文名称: 5,5-dimethyl-2-(1-(methylamino)ethylidene)cyclohexane-1,3-dione
• 英文别名: 5,5-dimethyl-2-[1-(methylamino)ethylidene]cyclohexane-1,3-dione
• CAS: 944-51-4
• 化学式: C₁₁H₁₇NO₂
• mdl: MFCD20542250
• 分子量: 195.261
• InChiKey: VQIJFYMAQYBBPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  46.17
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6,7-二甲氧基-3,4-二氢异喹啉 、 5,5-dimethyl-2-(1-(methylamino)ethylidene)cyclohexane-1,3-dione 在 盐酸 作用下， 反应 8.0h， 以36.4%的产率得到16,16-dimethyl-12-(methylimino)-2,3-dimethoxy-17a-oxo-1,3,5(10),13-tetraen-8-aza-D-homogonane hydrochloride
  参考文献：
  名称：

  Gulyakevich, O. V.; Mikhal'chuk, A. L.; Khripach, V. A., Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 1.2, p. 187 - 188

  摘要：

  DOI：

文献信息

• [EN] A METHOD FOR MODIFICATION OF PEPTIDES IMMOBILIZED ON A SOLID SUPPORT BY TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES<br/>[FR] PROCÉDÉ DE MODIFICATION DE PEPTIDES IMMOBILISÉS SUR UN SUPPORT SOLIDE PAR DES MOLÉCULES DE LIAISON POUVANT ÊTRE CLIVÉES PAR RÉDUCTION SANS TRACE
  申请人：BELYNTIC GMBH

  公开号：WO2021023892A1

  公开（公告）日：2021-02-11

  The present invention relates to a method for modifying and purifying peptides comprising an immobilizing step, a modification step and a releasing step. In the immobilizing step, a crude linker-tagged peptide L-P is coupled to a solid support yielding an immobilized linker-tagged peptide S-L-P. Subsequently, the immobilized linker-tagged peptide S-L-P is modified with one or more organic molecules yielding an immobilized linker-tagged peptide S-L-mP. Finally, the modified peptide is released via a reduced intermediate RI. The linker molecule is a compound of formula 1, X-Tb-Va-U-Y-Z (1), which can be coupled to a purification resin via the moiety X and to a peptide via the moiety Y under the release of the leaving group Z. T is an optional spacer moiety and V is an optional electron withdrawing moiety. U is an aryl or 5- or 6-membered heteroaryl moiety bound to at least one electron withdrawing moiety V, W or E. The linker is stable under acidic conditions and releases the peptide upon addition of a reducing agent.

  本发明涉及一种修饰和纯化肽的方法，包括固定步骤、修饰步骤和释放步骤。在固定步骤中，将粗链联标记的肽L-P偶联到固体支持上，得到固定的链联标记的肽S-L-P。随后，用一个或多个有机分子修饰固定的链联标记的肽S-L-P，得到固定的链联标记的肽S-L-mP。最后，通过还原中间体RI释放修饰的肽。链联分子是化合物1的化学式，X-Tb-Va-U-Y-Z（1），可以通过基团X偶联到纯化树脂，通过基团Y偶联到肽，释放离去基团Z。T是可选的间隔基团，V是可选的电子吸引基团。U是芳基或与至少一个电子吸引基团V、W或E结合的芳基或5-或6-成员杂芳基基团。该链联在酸性条件下稳定，并在加入还原剂后释放肽。
• [EN] TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES FOR PEPTIDE PURIFICATION<br/>[FR] MOLÉCULES DE LIAISON SANS TRACE CLIVABLES PAR RÉDUCTION POUR PURIFICATION DE PEPTIDES
  申请人：BELYNTIC GMBH

  公开号：WO2020043747A1

  公开（公告）日：2020-03-05

  The present invention relates to linker molecules of formula (1), X-Tb-Va-U-Y-Z (1) and a method for purifying peptides using said linker molecules. The linker molecule can be coupled to a purification resin via the moiety X and to a peptide via the moiety Y under the release of the leaving group Z. T is an optional spacer moiety and V is an optional electron withdrawing moiety. U is an aryl or 5- or 6-membered heteroaryl moiety bound to at least one electron withdrawing moiety V, W or E. The linker is stable under acidic conditions and releases the peptide upon addition of a reducing agent.

  本发明涉及公式（1）的连接分子，X-Tb-Va-U-Y-Z（1），以及使用所述连接分子纯化肽的方法。连接分子可以通过基团X与纯化树脂结合，并通过基团Y与肽结合，释放离去基团Z。T是可选的间隔基团，V是可选的电子吸引基团。U是与至少一个电子吸引基团V、W或E相结合的芳基或5-或6-成员杂环芳基。连接在酸性条件下稳定，并在加入还原剂后释放肽。
• Mikhal'chuk, A. L.; Gulyakevich, O. V., Russian Journal of Organic Chemistry, 1995, vol. 31, # 1.2, p. 138
  作者：Mikhal'chuk, A. L.、Gulyakevich, O. V.

  DOI：——

  日期：——
• Mikhaltschuk A. L., Guljakewitsch O. W., Zh. organ. khimii, 31 (1995) N 1, S 151
  作者：Mikhaltschuk A. L., Guljakewitsch O. W.

  DOI：——

  日期：——
• TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES FOR PEPTIDE PURIFICATION
  申请人：BELYNTIC GMBH

  公开号：US20210332082A1

  公开（公告）日：2021-10-28

  The present invention relates to linker molecules of formula (1), X-T b -V a —U—Y—Z (1) and a method for purifying peptides using said linker molecules. The linker molecule can be coupled to a purification resin via the moiety X and to a peptide via the moiety Y under the release of the leaving group Z. T is an optional spacer moiety and V is an optional electron withdrawing moiety. U is an aryl or 5- or 6-membered heteroaryl moiety bound to at least one electron withdrawing moiety V, W or E. The linker is stable under acidic conditions and releases the peptide upon addition of a reducing agent.