hexamine | 1378802-06-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: hexamine
• 英文别名: 3-Ethyl-1,3,5,7-tetrazabicyclo[3.3.1]nonane
• CAS: 1378802-06-2
• 化学式: C₇H₁₆N₄
• 分子量: 156.231
• InChiKey: RSRXCHPAHIURPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  240.8±8.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  间苯三酚 、 hexamine 在 三氟乙酸 、 盐酸 作用下， 以 水 为溶剂， 反应 6.0h， 以22%的产率得到三醛基间苯三酚
  参考文献：
  名称：

  The first examples of supramolecular discotic C3h tris(N-salicylideneamine)s featuring inter- and intra-molecular H-bonding: synthesis and characterization

  摘要：

  Supramolecular liquid crystalline tris(N-salicylideneamine)s (TSANs) featuring both inter- and intramolecular hydrogen bonding have been synthesized and characterized for the first time. These TSANs formed by condensing 3 equiv of 3,4,5-trialkoxybenzoylhydrazine with 1,3,5-triformylphloroglucinol exist as the single C-3h-symmetric keto-enamine product solely, unlike the previously reported TSANs. Their self-assembly into supramolecular fluid hexagonal columnar phase over a wide thermal range is evidenced with the aid of optical microscopic, calorimetric, and powder X-ray diffraction techniques. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.124

文献信息

• [EN] PROCESSES FOR PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE<br/>[FR] PROCÉDÉS DE PRÉPARATION DE (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE
  申请人：CELGENE CORP

  公开号：WO2019040109A1

  公开（公告）日：2019-02-28

  Provided are processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate, or a salt, solvate, hydrate, enantiomer, mixture of enantiomers, or isotopologue thereof. Also provided are solid forms of various intermediates and products obtained from the processes.

  提供了制备(S)-叔丁基4,5-二氨基-5-氧代戊酸酯，或其盐、溶剂结晶体、水合物、对映体、对映体混合物或同位素类似物的方法。还提供了从这些过程中获得的各种中间体和产物的固体形式。
• Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators
  申请人：HMI Medical Innovations, LLC

  公开号：US10473643B2

  公开（公告）日：2019-11-12

  This invention relates to methods of identifying, synthesizing, optimizing and profiling compounds that are inhibitors or activators of proteins, both naturally occurring endogenous proteins as well as certain variant forms of endogenous proteins, and novel methods of identifying such variants. The method accelerates the identification and development of compounds as potential therapeutically effective drugs by simplifying the pharmaceutical discovery and creation process through improvements in hit identification, lead optimization, biological profiling, and rapid elimination of toxic compounds. Implementation results in overall cost reductions in the drug discovery process resulting from the corresponding increases in efficiency.

  本发明涉及鉴定、合成、优化和剖析作为蛋白质抑制剂或激活剂的化合物的方法，这些蛋白质既包括天然存在的内源性蛋白质，也包括内源性蛋白质的某些变体形式，以及鉴定这些变体的新方法。该方法通过改进新药鉴定、先导物优化、生物分析和快速消除有毒化合物，简化了药物发现和创造过程，从而加快了作为潜在治疗药物的化合物的鉴定和开发。该方法的实施可相应提高效率，从而降低药物发现过程的总体成本。
• MULTI-DIRECTIONAL LIGAND FOR ORGANOMETALLIC COMPLEX
  申请人：LG Chem, Ltd.

  公开号：EP3406601B1

  公开（公告）日：2022-04-20
• COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS
  申请人：HMI Medical Innovations, LLC

  公开号：US20200049693A1

  公开（公告）日：2020-02-13

  This invention relates to methods of identifying, synthesizing, optimizing and profiling compounds that are inhibitors or activators of proteins, both naturally occurring endogenous proteins as well as certain variant forms of endogenous proteins, and novel methods of identifying such variants. The method accelerates the identification and development of compounds as potential therapeutically effective drugs by simplifying the pharmaceutical discovery and creation process through improvements in hit identification, lead optimization, biological profiling, and rapid elimination of toxic compounds. Implementation results in overall cost reductions in the drug discovery process resulting from the corresponding increases in efficiency.
• US9643935B2
  申请人：——

  公开号：US9643935B2

  公开（公告）日：2017-05-09