2-methylpiperidine-1-carbonyl chloride | 64196-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-methylpiperidine-1-carbonyl chloride
• CAS: 64196-60-7
• 化学式: C₇H₁₂ClNO
• 分子量: 161.631
• InChiKey: QMIKDOBDKNYLGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-methylpiperidine-1-carbonyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-Oxo-4H-chromene-2-carboxylic acid 2-[ethyl-(2-methyl-piperidine-1-carbonyl)-amino]-ethyl ester
  参考文献：
  名称：

  Synthesis and characterization of a cyclic acylammonium chloride

  摘要：

  DOI：

  10.1021/jo01291a039
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 光气 、 苯 作用下， 生成 2-methylpiperidine-1-carbonyl chloride
  参考文献：
  名称：

  Process for the manufacture of disubstituted carbamic acid esters of phenols containing a basic substituent

  摘要：

  公开号：

  US02208485A1

文献信息

• BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20190185479A1

  公开（公告）日：2019-06-20

  The present invention provides: a novel use of a specific bicyclic nitrogen-containing heterocyclic compound as a PDE7 inhibitor; a novel bicyclic nitrogen-containing heterocyclic compound having a PDE7 inhibitory effect, a method for producing the compound, a use of the compound, and a pharmaceutical composition containing the PDE7 inhibitor or the compound; and others. More specifically, the present invention provides a PDE7 inhibitor containing the compound represented by the formula (I): [wherein the symbols have the same meanings as those described in the description] or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了：一种将特定的双环氮杂环化合物用作PDE7抑制剂的新用途；具有PDE7抑制作用的新型双环氮杂环化合物，一种制备该化合物的方法，该化合物的用途，以及含有PDE7抑制剂或该化合物的药物组合物；等等。更具体地，本发明提供了一种包含由下式（I）表示的化合物的PDE7抑制剂： [其中符号的含义与描述中所述的相同]或其药学上可接受的盐作为活性成分。
• Tetrazolinones as herbicides and intermediates
  申请人：NIHON BAYER AGROCHEM K.K.

  公开号：EP0820994A1

  公开（公告）日：1998-01-28

  The present invention relates to novel compounds and mixtures of geometrical isomers, which are represented by the formula: wherein R1 and R2independently of one another are C1-6 alkyl, C1-6 haloalkyl, C3-8 cycloalkyl, C2-6 alkenyl, C2-6 haloalkenyl, C3-6 alkynyl or optionally substituted phenyl; or R1 and R2, together with the nitrogen atom to which they are bonded, form a 5-membered or 6-membered heterocyclic ring which may be benzo-fused or which may be substituted by halogen or C1-4 alkyl; R3 is hydrogen or C1-6 alkyl; R4 is hydrogen or C1-6 alkyl; or R3 and R4, together with the carbon atoms to which they are bonded, form cyclopentylidene or cyclohexylidene; and R5 is C1-6 alkyl, C3-6 alkenyl or benzyl; further to processes and new intermediates for their production and to their use as herbicides.

  本发明涉及一类新的化合物及几何异构体的混合物，其由以下公式表示：其中R1和R2彼此独立地为C1-6烷基，C1-6卤代烷基，C3-8环烷基，C2-6烯基，C2-6卤代烯基，C3-6炔基或可选地被取代的苯基；或者R1和R2与它们所连接的氮原子一起形成一个可能被苯并环合的、5成员或6成员的杂环环，该环可能被卤素或C1-4烷基取代；R3是氢或C1-6烷基；R4是氢或C1-6烷基；或者R3和R4与它们所连接的碳原子一起形成环戊基亚基或环己基亚基；并且R5是C1-6烷基，C3-6烯基或苄基；进一步涉及到它们的制备过程和新中间体，以及它们作为除草剂的使用。
• KINASE INHIBITORS
  申请人：CHIESI FARMACEUTICI S.p.A.

  公开号：US20140364412A1

  公开（公告）日：2014-12-11

  Compounds of formula (I) described herein are p38 MAPK inhibitors and are useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract

  本文描述的化合物(I)的公式是p38 MAPK抑制剂，可用作抗炎药物，用于治疗呼吸道疾病等。
• Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities
  作者：Wei-Guang Shan、Han-Guang Wang、Yan Chen、Rui Wu、Yan-Tao Wen、Li-Wen Zhang、You-Min Ying、Jian-Wei Wang、Zha-Jun Zhan

  DOI：10.1016/j.bmcl.2017.05.083

  日期：2017.8

  A series of 3-carbamate and 29-ester celastrol derivatives (compounds 1–26) were designed and synthesized. These analogues were evaluated for their cytotoxic activities against several cancer cell lines. Cytotoxicity data revealed that the properties of substituents and substitution position had important influence on cytotoxic activity. Modification of C-3 hydroxyl with size-limited groups did not

  设计并合成了一系列3-氨基甲酸酯和29％的Celastrol衍生物（化合物1至26）。评估了这些类似物对几种癌细胞系的细胞毒活性。细胞毒性数据表明，取代基的性质和取代位置对细胞毒活性具有重要影响。用尺寸受限的基团修饰C-3羟基并没有明显降低活性。像哌嗪这样的极性基团的引入可以提高溶解度。选择化合物23以进一步评估体内抗肿瘤功效。在体内显示出比Celastrol更高的抑制率和更好的安全性通过胃内给药进行实验。体内化合物23 的初步抗肿瘤研究表明，它对于开发新的抗肿瘤药物可能很有希望。
• Design, molecular Docking, synthesis and evaluation of xanthoxylin hybrids as dual inhibitors of IL-6 and acetylcholinesterase for Alzheimer's disease
  作者：Sukhvir Kaur、Yogita Bansal

  DOI：10.1016/j.bioorg.2022.105670

  日期：2022.4

  and AChE by a molecule presents an effective strategy for the treatment of AD. In this study, the pharmacophores for inhibition of IL-6 and AChE are identified, and coupled to design novel molecules capable of acting as dual inhibitors of IL-6 and AChE. Literature review reveals that xanthoxylin and a disubstituted or a carbamoyl amine are pharmacophore for IL-6 and AChE inhibition, respectively. Therefore

  白细胞介素 6 (IL-6) 和乙酰胆碱酯酶 (AChE) 是涉及阿尔茨海默病 (AD) 进展的两个重要靶标。分子同时抑制 IL-6 和 AChE 是治疗 AD 的有效策略。在这项研究中，确定了抑制 IL-6 和 AChE 的药效团，并结合设计了能够作为 IL-6 和 AChE 双重抑制剂的新分子。文献回顾表明，花青素和二取代或氨基甲酰胺分别是抑制 IL-6 和 AChE 的药效团。因此，花青素通过不同长度（1-4个碳原子）的烷基接头与各种二取代胺或氨基甲酰胺偶联，设计出两个系列的80个化合物。所有设计的化合物都停靠在 AChE 中。根据他们的对接分数，选择了 15 种化合物用于合成和评估 AChE 抑制活性。化合物显示 > 45% 的抑制选择Ee AChE 用于评估 IL-6 和丁酰胆碱酯酶 (BuChE) 抑制活性。化合物 Y13g 被发现是Ee AChE、BuChE 和 IL-6 最有效的抑制剂。在三种剂量（0