([1,4]二氮杂环庚烷-6-基)甲醇 | 220364-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 中文名称: ([1,4]二氮杂环庚烷-6-基)甲醇
• 英文名称: (1,4-diazepan-6-yl)methanol
• 英文别名: 1,4-diazepan-6-ylmethanol
• CAS: 220364-91-0
• 化学式: C₆H₁₄N₂O
• mdl: MFCD14156100
• 分子量: 130.19
• InChiKey: OIXZUXCRAYKHTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.3
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  ([1,4]二氮杂环庚烷-6-基)甲醇 在 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 51.0h， 生成 3,3'-(6-(hydroxymethyl)-1,4-diazepane-1,4-diyl)bis(1-(4-ethylpiperazin-1-yl)propan-2-ol)
  参考文献：
  名称：

  由Tricopper簇络合物功能化的碳电极：克服过氧和过氧化氢在氧还原反应中的产生

  摘要：

  由分散在电化学还原的炭黑上的三铜簇复合物Cu 3（7‐ N‐ Etppz（CH 2 OH））介导的丝网印刷碳电极表面上的氧还原反应（ORR）的研究，其中7‐ N‐ Etppz （CH 2 OH）是配体3,3'-（6-（羟甲基）-1,4-二氮杂pan-1,4-二基）双（1-（4-乙基哌嗪-1-基）丙烷-2- ol），进行了说明。与可逆氢电极相比，在pH 13和pH 7下观察到约0.92 V和约0.77 V的起始氧还原电势，可与任何合成铜络合物报道的最佳值相比。基于半波电势（E 1/2），相应的过电势分别约为0.42 V和约0.68 V. 动力学研究表明，三核铜催化剂可以完成4 E -减少的O- 2有效地和ORR是伴随着生产只有少量为h 2 ö 2。还证实了三元组铜参与了O 2活化过程。

  DOI：

  10.1002/anie.201712226
• 作为产物：
  描述：

  (1,4-二苄基-[1,4]-二氮杂环庚烷-6-基)-甲醇 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以90%的产率得到([1,4]二氮杂环庚烷-6-基)甲醇
  参考文献：
  名称：

  由Tricopper簇络合物功能化的碳电极：克服过氧和过氧化氢在氧还原反应中的产生

  摘要：

  由分散在电化学还原的炭黑上的三铜簇复合物Cu 3（7‐ N‐ Etppz（CH 2 OH））介导的丝网印刷碳电极表面上的氧还原反应（ORR）的研究，其中7‐ N‐ Etppz （CH 2 OH）是配体3,3'-（6-（羟甲基）-1,4-二氮杂pan-1,4-二基）双（1-（4-乙基哌嗪-1-基）丙烷-2- ol），进行了说明。与可逆氢电极相比，在pH 13和pH 7下观察到约0.92 V和约0.77 V的起始氧还原电势，可与任何合成铜络合物报道的最佳值相比。基于半波电势（E 1/2），相应的过电势分别约为0.42 V和约0.68 V. 动力学研究表明，三核铜催化剂可以完成4 E -减少的O- 2有效地和ORR是伴随着生产只有少量为h 2 ö 2。还证实了三元组铜参与了O 2活化过程。

  DOI：

  10.1002/anie.201712226

文献信息

• PYRAZOLE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1762568A1

  公开（公告）日：2007-03-14

  A compound represented by formula (I): (wherein Ar1 represents a phenyl group which may have 1 to 3 substituents, or a non-substituted 5- or 6-membered aromatic heterocyclic group; Ar2 represents (i) a non-substituted phenyl group, (ii) a phenyl group which has been substituted by a lower alkyl group having 1 to 3 groups or atoms selected from among a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom, or (iii) a 5- or 6-membered nitrogen-containing aromatic heterocyclic group which has been substituted by 1 to 3 groups or atoms selected from among a lower alkyl group, a lower alkynyl group, a lower alkanoyl group, a carbamoyl group, a cyano group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom; and X represents a group represented by formula (II): (wherein the ring structure represents a 4- to 7-membered heterocyclic group which may have, in addition to the nitrogen atom shown in formula (II), one heteroatom selected from among nitrogen, oxygen, and sulfur, and which may be substituted by 1 to 4 groups or atoms selected from among a lower alkyl group, a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, an oxo group, a lower alkanoyl group, a lower alkylsulfonyl group, and a halogen atom)), a salt thereof, a solvate of the compound or the salt, and a drug.

  由式(I)表示的化合物： （其中Ar1代表可能具有1到3个取代基的苯基，或者是非取代的5-或6-成员芳香杂环基团；Ar2代表（i）非取代的苯基团，（ii）已被1到3个来自羰胺基、氨基、羟基、低烷氧基和卤原子的群或原子取代的较低烷基基团取代的苯基团，或者（iii）已被1到3个来自低烷基基团、低炔基基团、低烷酰基团、羰胺基、氰基、氨基、羟基、低烷氧基和卤原子的群或原子取代的5-或6-成员含氮芳香杂环基团；X代表由式(II)表示的基团： （其中环结构表示可能具有除了式(II)中显示的氮原子之外，从氮、氧和硫中选择的一个杂原子的4-到7-成员杂环基团，并且可能被1到4个来自低烷基基团、羰胺基、氨基、羟基、低烷氧基、氧基、低烷酰基团、低烷基磺酰基团和卤原子的群或原子取代）），其盐，该化合物或其盐的溶剂化合物，以及药物。
• Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV
  申请人：——

  公开号：US20020161001A1

  公开（公告）日：2002-10-31

  The present invention relates to therapeutically active and selective inhibitors of the enzyme DPP-IV, pharmaceutical compositions comprising the compounds and the use of such compounds for and the manufacture of medicaments for treating diseases that are associated with proteins which are subject to inactivation by DPP-IV, such as type 2 diabetes and obesity, as well as methods for treating diseases that are associated with proteins which are subject to inactivation by DPP-IV, such as type 2 diabetes and obesity

  本发明涉及治疗活性和选择性抑制剂酶DPP-IV，包含该化合物的药物组合物以及利用这些化合物制造用于治疗与DPP-IV使蛋白质失活有关的疾病的药物，例如2型糖尿病和肥胖症，以及治疗与DPP-IV使蛋白质失活有关的疾病的方法，例如2型糖尿病和肥胖症。
• HOMOPIPERAZINE-BASED CATALYSTS FOR NEUTRALIZATION OF ORGANOPHOSPHORUS-BASED COMPOUNDS
  申请人：Lawrence Livermore National Security, LLC

  公开号：US20170253568A1

  公开（公告）日：2017-09-07

  Novel compositions of matter based on homopiperazine precursor materials and forming a homopiperazine-based ligand are disclosed, along with suitable techniques and materials for the synthesis and utilization thereof. In particular various synthetic schemes and techniques for applying the disclosed compositions of matter as a decontaminating agent. The decontaminating agents include homopiperazine-based ligand-metal complexes that are particularly effective at neutralizing toxicity of nerve agents, pesticides, and other toxic organophosphorus-based compounds. In preferred approaches, the homopiperazine-based ligand-metal complexes act as catalysts to facilitate substitution of a leaving group of the organophosphorus-based compound with a functional group that does not permit the organophosphorus-based compound to inactivate acetylcholinesterase upon introduction of the organophosphorus-based compound to a living organism such as insects and mammals. Advantageously, the catalytic homopiperazine-based ligand-metal complexes are formed using inexpensive, readily-available precursor materials, and may be utilized to neutralize toxins without relying on damaging caustic reactants or environmentally unfriendly organic solvents.

  基于同环异丙二胺前体材料的新型物质组合物以及形成基于同环异丙二胺的配体的方法被披露，还有适用的合成和利用技术和材料。特别是各种合成方案和技术，用于将披露的物质组合物作为除污剂。这些除污剂包括基于同环异丙二胺配体-金属配合物，特别有效地中和神经毒剂、杀虫剂和其他有机磷基化合物的毒性。在首选方法中，基于同环异丙二胺的配体-金属配合物作为催化剂，促进有机磷基化合物的脱离基团被一个功能基团替代，该功能基团不允许有机磷基化合物在引入有机磷基化合物到昆虫和哺乳动物等生物体时使乙酰胆碱酯酶失活。优点是，这种催化同环异丙二胺基配体-金属配合物是使用廉价、易得的前体材料形成的，并且可以用于中和毒素，而不依赖于有害的腐蚀性反应物或环境不友好的有机溶剂。
• Pyrazole derivative
  申请人：Kanaya Naoaki

  公开号：US20060128685A1

  公开（公告）日：2006-06-15

  The present invention is directed to a strong platelet aggregation-inhibiting agent which does not inhibit COX-1 or COX-2. The present invention provides compounds represented by formula (I) or formula (II), salts of the compounds, and solvates of the compounds or the salts. Also provided are medicaments containing any of the compounds, salts, or solvates and preventive and/or therapeutic agents for ischemic diseases, containing any of the compounds, salts, or the solvates.

  本发明旨在提供一种强的血小板聚集抑制剂，其不抑制COX-1或COX-2。本发明提供了由式（I）或式（II）表示的化合物，化合物的盐以及化合物或盐的溶剂。还提供了包含任何一种化合物、盐或溶剂的药物以及预防和/或治疗缺血性疾病的制剂，其中包含任何一种化合物、盐或溶剂。
• Five-membered heterocyclic derivative
  申请人：Okayama Toru

  公开号：US20060189591A1

  公开（公告）日：2006-08-24

  The present invention relates to a compound represented by formula (I): a salt of the compound, or a solvate of the compound or the salt; a drug containing any of the compounds, the salts, and the solvates; a preventive and/or therapeutic agent for an ischemic disease containing any of the compounds, the salts, and the solvates; and a platelet coagulation inhibitor containing any of the compounds, the salts, and the solvates. The compound of the present invention is useful as a strong platelet coagulation inhibitor without inhibiting COX-1 or COX-2.

  本发明涉及一种由公式（I）表示的化合物：该化合物的盐，或该化合物或盐的溶剂化物；含有任何该化合物、盐和溶剂化物的药物；含有任何该化合物、盐和溶剂化物的缺血性疾病的预防和/或治疗剂；以及含有任何该化合物、盐和溶剂化物的血小板凝集抑制剂。本发明的化合物在不抑制COX-1或COX-2的情况下作为强效的血小板凝集抑制剂非常有用。