tert-butyl N-[N-(4-methylphenyl)sulfonyl-C-pyrazol-1-ylcarbonimidoyl]carbamate | 357958-77-1

• 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: tert-butyl N-[N-(4-methylphenyl)sulfonyl-C-pyrazol-1-ylcarbonimidoyl]carbamate
• CAS: 357958-77-1
• 化学式: C₁₆H₂₀N₄O₄S
• 分子量: 364.425
• InChiKey: CTHVFYRVADNPNS-UHFFFAOYSA-N

物化性质

• 沸点：
  498.3±38.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  环己胺 、 tert-butyl N-[N-(4-methylphenyl)sulfonyl-C-pyrazol-1-ylcarbonimidoyl]carbamate 以 四氢呋喃 为溶剂， 反应 0.08h， 以100%的产率得到tert-butyl N-[N'-cyclohexyl-N-(4-methylphenyl)sulfonylcarbamimidoyl]carbamate
  参考文献：
  名称：

  Efficient Introduction of Protected Guanidines in BOC Solid Phase Peptide Synthesis

  摘要：

  [GRAPHICS]Reaction of primary amines with pyrazole 1 results in rapid and efficient guanidinylation, either in solution or on solid phase. The reaction affords sulfonamide-protected products required for BOC solid phase peptide synthesis (SPPS) in a single step under mild conditions. Incorporation of orthogonally protected side chain amines permits the synthesis of peptides containing arginine analogues, one of which could not be prepared by coupling of preformed amino acids.

  DOI：

  10.1021/ol016139b
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 tert-butyl N-[N-(4-methylphenyl)sulfonyl-C-pyrazol-1-ylcarbonimidoyl]carbamate
  参考文献：
  名称：

  Efficient Introduction of Protected Guanidines in BOC Solid Phase Peptide Synthesis

  摘要：

  [GRAPHICS]Reaction of primary amines with pyrazole 1 results in rapid and efficient guanidinylation, either in solution or on solid phase. The reaction affords sulfonamide-protected products required for BOC solid phase peptide synthesis (SPPS) in a single step under mild conditions. Incorporation of orthogonally protected side chain amines permits the synthesis of peptides containing arginine analogues, one of which could not be prepared by coupling of preformed amino acids.

  DOI：

  10.1021/ol016139b

文献信息

• METHODS AND COMPOSITIONS FOR POLYPEPTIDE ANALYSIS
  申请人：Encodia, Inc.

  公开号：US20200348307A1

  公开（公告）日：2020-11-05

  The present disclosure relates to methods and kits for analysis of polypeptides. In some embodiments, the present methods and kits employ barcoding and nucleic acid encoding of molecular recognition events, and/or detectable labels.
• KITS FOR ANALYSIS USING NUCLEIC ACID ENCODING AND/OR LABEL
  申请人：Encodia, Inc.

  公开号：US20200348308A1

  公开（公告）日：2020-11-05

  Kits and methods of using the kits for analyzing macromolecules, including peptides, polypeptides, and proteins, employing nucleic acid encoding are disclosed. The sample analysis kits employ nucleic acid encoding and/or nucleic acid recording of a molecular interaction and/or reaction, such as recognition events (e.g., between an antigen and an antibody, between a modified terminal amino acid residue, or between a small molecule or peptide therapeutic and a target, etc.). Additional barcoding reagents, such as those for cycle-specific barcoding (e.g., “clocking”), compartment barcoding, combinatorial barcoding, spatial barcoding, or any combination thereof, may be included in the kits. The sample may comprise macromolecules, including peptides, polypeptides, and proteins, and the recording may generate molecular interaction and/or reaction information, and/or polypeptide sequence information. The kits may be used in high-throughput, multiplexed, and/or automated analysis, and are suitable for analysis of a proteome or subset thereof.
• MODIFIED CLEAVASES, USES THEREOF AND RELATED KITS
  申请人：Encodia, Inc.

  公开号：US20210214701A1

  公开（公告）日：2021-07-15

  Provided herein are modified cleavases for removing amino acids from peptides, polypeptides, and proteins. Also provided are methods of using the modified cleavases for treating polypeptides, and kits comprising the modified cleavase. In some embodiments, the methods and the kits also include other components for macromolecule sequencing and/or analysis.
• METHODS AND COMPOSITIONS OF ACCELERATING REACTIONS FOR POLYPEPTIDE ANALYSIS AND RELATED USES
  申请人：Encodia, Inc.

  公开号：US20220127754A1

  公开（公告）日：2022-04-28

  The present disclosure relates to methods of accelerating reactions involving macromolecules, e.g., peptides, polypeptides, and proteins for sequencing and/or analysis. In some embodiments, the methods include the application of radiation, e.g., electromagnetic radiation or microwave energy. In some embodiments, the methods and uses are for modifying a polypeptide or a plurality of polypeptides (e.g., peptides and proteins) for sequencing and/or analysis that employ barcoding and nucleic acid encoding of molecular recognition events, and/or detectable labels.
• [EN] METHODS AND COMPOSITIONS OF ACCELERATING REACTIONS FOR POLYPEPTIDE ANALYSIS AND RELATED USES<br/>[FR] PROCÉDÉS ET COMPOSITIONS D'ACCÉLÉRATION DE RÉACTIONS POUR L'ANALYSE DE POLYPEPTIDES ET UTILISATIONS ASSOCIÉES
  申请人：ENCODIA INC

  公开号：WO2020154208A1

  公开（公告）日：2020-07-30

  The present disclosure relates to methods of accelerating reactions involving macromolecules, e.g., peptides, polypeptides, and proteins for sequencing and/or analysis. In some embodiments, the methods include the application of radiation, e.g., electromagnetic radiation or microwave energy. In some embodiments, the methods and uses are for modifying a polypeptide or a plurality of polypeptides (e.g., peptides and proteins) for sequencing and/or analysis that employ barcoding and nucleic acid encoding of molecular recognition events, and/or detectable labels.