1-(3-氨基-丙基)-哌啶-3-醇 | 51387-96-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(3-氨基-丙基)-哌啶-3-醇
• 英文名称: 1-(3-Aminopropyl)-3-piperidinol
• 英文别名: 1-(3-amino-propyl)-piperidin-3-ol；1-(3-Aminopropyl)piperidin-3-ol
• CAS: 51387-96-3
• 化学式: C₈H₁₈N₂O
• 分子量: 158.244
• InChiKey: RLDCHEDVXUZUMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  1-(3-氨基-丙基)-哌啶-3-醇 以 硝基苯 、 异丙醇 为溶剂， 反应 1.0h， 生成 1-{3-[2-(4-Chloro-phenylamino)-quinazolin-4-ylamino]-propyl}-piperidin-3-ol; hydrochloride
  参考文献：
  名称：

  N 2-芳基-N 4-[（二烷基氨基）烷基]-和N 4-芳基-N 2-[（二烷基氨基）烷基] -2，4-喹唑啉二胺的合成和抗疟作用。

  摘要：

  合成了一系列的N2（和N4）-芳基-N4（和N2）-[（（二烷基氨基）烷基] -2,4-喹唑啉二胺类，用于抗疟疾评估。适当的2，4-二氯喹唑啉（IV）与必要的N，N-二烷基亚烷基二胺缩合得到一系列的2-氯-N-[（（二烷基氨基）烷基] -4-喹唑啉胺（V），其与适当的芳基胺缩合。提供相应的N 2-芳基-N 4-[（（二烷基氨基）烷基] -2，4-喹唑啉二胺（VI）。将2,4-二氯喹唑啉水解为2-氯-4-喹唑啉，然后与适当的N，N-二烷基亚烷基二胺缩合，得到2-[[[（二烷基氨基）烷基]氨基] -4-喹唑啉（IXa）阵列。用三氯氧化磷氯化并与必要的芳基胺缩合得到N2-[（（二烷基氨基）烷基] -N4-苯基-2,4-喹唑啉二胺（X）。N2-芳基-N4-[（（二烷基氨基）烷基] -2,4-喹唑啉二胺（VI）中普遍具有抗疟活性，而反向异构体的活性较低。光毒性责任排除了对该系列成员的临床评估。

  DOI：

  10.1021/jm00134a002
• 作为产物：
  描述：

  丙烯腈 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-(3-氨基-丙基)-哌啶-3-醇
  参考文献：
  名称：

  Synthetic Amebicides. IV. [(Benz[c]acridin-7-ylamino)-alkylamino]-alkanols and their Esters¹

  摘要：

  DOI：

  10.1021/ja01535a051

文献信息

• Design, Synthesis, and Antiviral Activity of Entry Inhibitors That Target the CD4-Binding Site of HIV-1
  作者：Francesca Curreli、Spreeha Choudhury、Ilya Pyatkin、Victor P. Zagorodnikov、Anna Khulianova Bulay、Andrea Altieri、Young Do Kwon、Peter D. Kwong、Asim K. Debnath

  DOI：10.1021/jm3002247

  日期：2012.5.24

  The CD4 binding site on HIV-1 gp120 has been validated as a drug target to prevent HIV-1 entry to cells. Previously, we identified two small molecule inhibitors consisting of a 2,2,6,6-tetramethylpiperidine ring linked by an oxalamide to a p-halide-substituted phenyl group, which target this site, specifically, a cavity termed "Phe43 cavity". Here we use synthetic chemistry, functional assessment, and structure-based analysis to explore variants of each region of these inhibitors for improved antiviral properties. Alterations of the phenyl group and of the oxalamide linker indicated that these regions were close to optimal in the original lead compounds. Design of a series of compounds, where the tetramethylpiperidine ring was replaced with new scaffolds, led to improved antiviral activity. These new scaffolds provide insight into the surface chemistry at the entrance of the cavity and offer additional opportunities by which to optimize further these potential-next-generation therapeutics and microbicides against HIV-1.
• ELSLAGER E. F.; HESS C.; JOHNSON J.; ORTWINE D.; CHU V.; WEIBEL L. M., J. MED. CHEM., 1981, 24, NO 2, 127-140
  作者：ELSLAGER E. F.、 HESS C.、 JOHNSON J.、 ORTWINE D.、 CHU V.、 WEIBEL L. M.

  DOI：——

  日期：——
• AMIDO-SUBSTITUTED AZOLE COMPOUNDS
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3126337A2

  公开（公告）日：2017-02-08
• US9884063B2
  申请人：——

  公开号：US9884063B2

  公开（公告）日：2018-02-06
• [EN] AMIDO-SUBSTITUTED AZOLE COMPOUNDS<br/>[FR] COMPOSÉS AZOLE AMIDO-SUBSTITUÉS
  申请人：BAYER PHARMA AG

  公开号：WO2015150449A2

  公开（公告）日：2015-10-08

  The present invention relates to amido-substituted azole compounds of general formula (I), in which X1, X2, R1, R2, R4, R5, R7 and R8 are as defined in the claims which are inhibitors of TNKS1 and/or TNKS2, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neoplasms, as a sole agent or in combination with other active ingredients.