1-(叔丁基硫代)-1,2-肼二羧酸二叔丁酯 | 84592-35-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 中文名称: 1-(叔丁基硫代)-1,2-肼二羧酸二叔丁酯
• 中文别名: 1-叔丁基硫代-1,2-肼二羧酸二叔丁酯
• 英文名称: di-tert-butyl 1-(tert-butylthio)-1,2-hydrazine dicarboxylate
• 英文别名: di-tert-butyl 1-(tert-butylthio)-1,2-hydrazinedecarboxylate；di-tert-butyl 1-(tert-butylthio)-1,2-hydrazinedicarboxylate；di-tert-butyl 1-(tert-butylthio)hydrazine-1,2-dicarboxylate；ditert-butyl 1-(tert-butylthio)-1,2-hydrazinedicarboxylate；di-tert-butyl 1-tert-butylthio-1,2-hydrazinedicarboxylate；1tert.-butylthiohydrazine-1,2-dicarboxylic acid di-tert.-butyl ester；tert-butyl N-tert-butylsulfanyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
• CAS: 84592-35-8
• 化学式: C₁₄H₂₈N₂O₄S
• mdl: MFCD00077676
• 分子量: 320.453
• InChiKey: MOWYOPQOADUFLA-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100 °C
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  93.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-巯基乙醇 、 1-(叔丁基硫代)-1,2-肼二羧酸二叔丁酯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到2-(tert-butyldisulfanyl)ethanol
  参考文献：
  名称：

  Synthesis of glyoxylyl peptides using a phosphine labile α,α′-diaminoacetic acid derivative

  摘要：

  We describe in this letter the preparation of a novel protected alpha,alpha'-diaminoacetic acid derivative that acts as a masked glyoxylic acid equivalent. The reagent could easily be introduced on a peptide chain using standard Fmoc/tert-butyl solid-phase methods and resisted to the TFA treatment allowing the deprotection and cleavage of the peptide. Unmasking of the glyoxylyl group was performed in solution in the presence of a phosphine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.07.038
• 作为产物：
  描述：

  叔丁基硫醇 、 di-tert-butyl (E)-azodicarboxylate 在 sodium ethanolate 作用下， 生成 1-(叔丁基硫代)-1,2-肼二羧酸二叔丁酯
  参考文献：
  名称：

  Thiohydrazine-1,2-dicarboxylic acid derivatives and process for their

  摘要：

  该发明涉及新的1-叔丁基硫脲基-1,2-二羧酸衍生物，它们的生产以及它们作为1-叔丁基硫基残基的转移试剂的用途，特别是作为巯基的保护基的用途。

  公开号：

  US04599407A1

文献信息

• [EN] NOVEL TETRAGALNAC AND PEPTIDE CONTAINING CONJUGATES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES<br/>[FR] NOUVEAUX CONJUGUÉS CONTENANT TÉTRAGALNAC ET PEPTIDE ET PROCÉDÉS POUR L'ADMINISTRATION D'OLIGONUCLÉOTIDES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013166155A1

  公开（公告）日：2013-11-07

  Disclosed herein is a modular composition comprising 1) an oligonucleotide; 2) one or more tetraGalNAc ligands of Formula (I), which may be the same or different; optionally, 3) one or more linkers, which may be the same or different; 4) one or more peptides independently selected from Table 3, which may be the same or different; and optionally, 5) one or more targeting ligands, solubilizing agents, pharmacokinetics enhancing agents, lipids, and/or masking agents.

  本文揭示了一种模块化组合物，包括1）寡核苷酸；2）一个或多个符合式(I)的四聚GalNAc配体，可以相同也可以不同；可选地，3）一个或多个连接剂，可以相同也可以不同；4）从表3中独立选择的一个或多个肽，可以相同也可以不同；以及可选地，5）一个或多个靶向配体、增溶剂、药代动力学增强剂、脂质和/或掩蔽剂。
• Synthesis and Evaluation of Acyl Protein Thioesterase 1 (APT1) Inhibitors
  作者：Markus Biel、Patrick Deck、Athanassios Giannis、Herbert Waldmann

  DOI：10.1002/chem.200501128

  日期：2006.5.15

  Recently, an enzyme, acyl protein thioesterase 1 (APT1), that may play a regulatory role in the palmitoylation cycle of H-Ras and G-protein alpha subunits, was purified. Motivated by this work, several inhibitors of APT1 were designed, synthesized and biologically evaluated leading to highly active compounds.

  脂质修饰的蛋白质在重要的生物学过程中起着决定性作用，例如信号转导，细胞骨架的组织和囊泡转运。这些蛋白质的脂化对于正确的生物学功能是必不可少的。在脂质修饰中，烯丙基化和肉豆蔻酰基化是众所周知的。但是，棕榈酰化的机制仍在研究中。最近，纯化了一种可能在H-Ras和G蛋白α亚基的棕榈酰化循环中起调节作用的酰基蛋白硫酯酶1（APT1）酶。受这项工作的启发，设计，合成了多种APT1抑制剂，并对其进行了生物学评估，从而产生了高活性的化合物。
• 2‘-Deoxycytidines Carrying Amino and Thiol Functionality:  Synthesis and Incorporation by Vent (Exo^-) Polymerase
  作者：Abhijit Roychowdhury、Heshan Illangkoon、Cynthia L. Hendrickson、Steven A. Benner

  DOI：10.1021/ol0360290

  日期：2004.2.1

  [reaction: see text] The synthesis of 2'-deoxycytidine nucleosides bearing amino and thiol groups appended to the 5-position of the nucleobase via a butynyl linker is described. The corresponding triphosphates were then synthesized from the nucleoside and incorporated into oligonucleotides by Vent (exo(-)) DNA polymerase. The ability of Vent (exo(-)) polymerase to amplify oligonucleotides containing

  [反应：见正文]描述了带有氨基和硫醇基的2'-脱氧胞苷核苷的合成，该核苷通过丁炔基连接基附加到核碱基的5位。然后从核苷合成相应的三磷酸酯，并通过Vent（exo（-））DNA聚合酶掺入寡核苷酸。对于氨基官能化的衍生物，证明了Vent（exo（-））聚合酶在聚合酶链反应（PCR）中扩增包含这些官能化胞苷衍生物的寡核苷酸的能力。
• Solid-Phase Synthesis of Oligodeoxynucleotides Containing N4-[2-(t-butyldisulfanyl)ethyl]-5-methylcytosine Moieties
  作者：Sónia Pérez-Rentero、Alejandra V. Garibotti、Ramón Eritja

  DOI：10.3390/molecules15085692

  日期：——

  An efficient route for the synthesis of the phosphoramidite derivative of 5-methylcytosine bearing a tert-butylsulfanyl group protected thiol is described. This building block is used for the preparation of oligonucleotides carrying a thiol group at the nucleobase at the internal position of a DNA sequence. The resulting thiolated oligonucleotides are useful intermediates to generate oligonucleotide

  描述了一种合成带有叔丁基硫基保护的硫醇的 5-甲基胞嘧啶的亚磷酰胺衍生物的有效途径。该构件用于制备在 DNA 序列内部位置的核碱基处带有硫醇基团的寡核苷酸。所得的硫醇化寡核苷酸是有用的中间体，可用于产生在 DNA 序列的内部位置携带感兴趣分子的寡核苷酸缀合物。
• Targeting of tumor vasculature using radiolabelled antibody L19 against fibronectin ED-B
  申请人：Philogen S.p.A.

  公开号：EP1514561A1

  公开（公告）日：2005-03-16

  A specific binding member that binds human ED-B, wherein the specific binding member is labelled with an isotope selected from the group consisting of 76Br, 77Br, 123I, 124I, 131I and 211At and comprises an antigen-binding site that comprises an antibody VH domain and an antibody VL domain, wherein the antibody VH domain is selected from the group consisting of the L19 VH domain, and a VH domain comprising a VH CDR1, a VH CDR2 and a VH CDR3, wherein the VH CDR3 is the L19 VH CDR3 of SEQ ID NO. 3, the VH CDR1 is optionally L19 VH CDR1 of SEQ ID NO. 1, and the VH CDR2 is optionally L19 VH CDR2 of SEQ ID NO. 2; and wherein the antibody VL domain is optionally selected from the group consisting of the L19 VL domain, and a VL domain comprising a VL CDR1, a VL CDR2 and a VL CDR3, wherein the VL CDR3 is the L19 VL CDR3 of SEQ ID NO. 6, the VL CDR1 is optionally L19 VL CDR1 of SEQ ID NO. 4, and the VL CDR2 is optionally L19 VL CDR2 of SEQ ID NO. 5; the L19 VH domain and L19 VL domain sequences being disclosed in Pini et al. (1998) J. Biol. Chem. 273: 21769-21776; wherein the specific binding member comprises a mini-immunoglobulin comprising said antibody VH domain and antibody VL domain fused to εS2-CH4 and dimerized or comprises a whole IgG1 antibody molecule; also methods and uses employing such a specific binding member.

  一种结合人类ED-B的特异结合成员，其中该特异结合成员标记有从76Br、77Br、123I、124I、131I和211At组成的同位素中选择的一种，并包括一个包含抗原结合位点的抗体VH结构域和抗体VL结构域，其中抗体VH结构域选自L19 VH结构域组，以及包括VH CDR1、VH CDR2和VH CDR3的VH结构域，其中VH CDR3是序列ID号为3的L19 VH CDR3，VH CDR1可以选择序列ID号为1的L19 VH CDR1，VH CDR2可以选择序列ID号为2的L19 VH CDR2；抗体VL结构域可以选择自L19 VL结构域组，以及包括VL CDR1、VL CDR2和VL CDR3的VL结构域，其中VL CDR3是序列ID号为6的L19 VL CDR3，VL CDR1可以选择序列ID号为4的L19 VL CDR1，VL CDR2可以选择序列ID号为5的L19 VL CDR2；L19 VH结构域和L19 VL结构域序列在Pini等人（1998）J. Biol. Chem. 273: 21769-21776中披露；其中该特异结合成员包括一个包含所述抗体VH结构域和抗体VL结构域的迷你免疫球蛋白融合到εS2-CH4并二聚化，或包括一个完整的IgG1抗体分子；还包括采用此类特异结合成员的方法和用途。