C-(1-哌啶-1-基-环己基)-甲基胺 | 41805-36-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: C-(1-哌啶-1-基-环己基)-甲基胺
• 中文别名: (1-(哌啶-1-基)环己基)甲胺
• 英文名称: C-(1-piperidin-1-yl-cyclohexyl)methylamine
• 英文别名: C-(1-piperidin-1-yl-cyclohexyl)-methylamine；1-(1-aminomethyl-cyclohexyl)-piperidine；1-(1-Aminomethyl-cyclohexyl)-piperidin；1-(1-aminomethylcyclohexyl) piperidine；1-(1-aminomethylcyclohexyl)-piperidine；1-Piperidinocyclohexan-1-methylamin；(1-(Piperidin-1-yl)cyclohexyl)methanamine；(1-piperidin-1-ylcyclohexyl)methanamine
• CAS: 41805-36-1
• 化学式: C₁₂H₂₄N₂
• mdl: MFCD05201339
• 分子量: 196.336
• InChiKey: OHGRMGNDTSKKJV-UHFFFAOYSA-N

物化性质

• 沸点：
  127-130 °C(Press: 0.5 Torr)
• 密度：
  0.977±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090
• 储存条件：
  存放在2-8°C环境中，需保持干燥、密封并避免光照。

反应信息

• 作为反应物：
  描述：

  C-(1-哌啶-1-基-环己基)-甲基胺 在 aluminium hydride 、 甲酸 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 N-[2-(3,4-Dichloro-phenyl)-ethyl]-N-(1-piperidin-1-yl-cyclohexylmethyl)-formamide
  参考文献：
  名称：

  构象受限的N- [2-（3,4-二氯苯基）乙基] -N-甲基-2-（1-吡咯烷基）乙基胺的合成和评价。2.哌嗪，双环胺，桥联双环胺和其他化合物。

  摘要：

  作为我们先前研究（J. Med。Chem。1992，35，4334-4343）的继续，我们构象限制了sigma-受体配体2-（1-吡咯烷基）-N- [2-（3,4-二氯苯基）乙基] -N-甲基乙胺（1）掺入一系列同源的哌嗪3-9和均哌嗪10和11中，二氮杂双环壬烷和癸烷，桥头双环辛烷和壬烷以及其他其他化合物。使用[3H]（+）-喷他佐辛在豚鼠脑膜sigma 1位点获得sigma-受体结合亲和力。研究表明，在哌嗪中发现的氮孤对取向提供最强的结合相互作用。其他氮孤对取向或代表1 [不可能的交错构象的化合物，如4- [2-（3,4-二氯苯基）乙基] -1,4-二氮杂双环[3.2]。2] nonane（16）]显示非常弱的sigma相互作用。比较1的不同N-取代同系物与1- [2-（3,4-二氯苯基）乙基] -4-烷基哌嗪的结合数据表明，1的两个氮原子彼此相反。就其对空间体积的敏感性而言。1,4-二氮杂双环[4

  DOI：

  10.1021/jm00068a007
• 作为产物：
  描述：

  哌啶 在 lithium aluminium tetrahydride 、 硫酸 、 zinc(II) iodide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 8.0h， 生成 C-(1-哌啶-1-基-环己基)-甲基胺
  参考文献：
  名称：

  Discovery of a novel series of selective HCN1 blockers

  摘要：

  The discovery of a series of novel, potent, and selective blockers of the cyclic nucleotide-modulated channel HCN1 is disclosed. Here we report an SAR study around a series of selective blockers of the HCN1 channel. Utilization of a high-throughput VIPR assay led to the identification of a novel series of 2,2-disubstituted indane derivatives, which had moderate selectivity and potency at HCN1. Optimization of this hit led to the identification of the potent, 1,1-disubstituted cyclohexane HCN1 blocker, 2-ethoxy- N-(( 1-(4-isopropylpiperazin-1-yl) cyclohexyl) methyl) benzamide. The work leading to the discovery of this compound is described herein. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.051

文献信息

• CHEMICAL COMPOUNDS
  申请人：Deng Jianghe

  公开号：US20090143372A1

  公开（公告）日：2009-06-04

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula I: where R1, R2, R3, U and V are defined below and to pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  这项发明涉及新型吲哚羧酰胺衍生物。具体而言，该发明涉及符合以下式I的化合物： 其中R1、R2、R3、U和V如下定义，并且其药学上可接受的盐。该发明的化合物是IKK2的抑制剂，可用于治疗与不当IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘和慢性阻塞性肺病（COPD）。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制IKK2活性和治疗相关疾病的方法。
• [EN] KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME<br/>[FR] INHIBITEURS DE KINASES ET PROCÉDÉ DE TRAITEMENT DU CANCER UTILISANT CEUX-CI
  申请人：UNIV HEALTH NETWORK

  公开号：WO2011123937A1

  公开（公告）日：2011-10-13

  The present teachings provide a compound represented by Strutural Formula (I): or a pharmaceutically acceptable salt thereof. Also described are a pharmaceutical composition and method of use thereof.

  本教学提供了一种由结构式(I)表示的化合物，或其药用可接受的盐。还描述了一种药物组合物及其使用方法。
• 1-(3,4-DICHLOROBENZAMIDOMETHYL)-CYCLOHEXYLDIMETHYLAMINE
  申请人：Allen & Hanburys Limited

  公开号：US03975443A1

  公开（公告）日：1976-08-17

  Compounds of the general formula I: ##EQU1## in which R.sup.1 - R.sup.4 which may be the same or different represent hydrogen atoms, or C.sub.1.sub.-6 straight or branched chain alkyl, alkenyl or alkynyl group or an alkyl group substituted by a cycloalkyl group, or represents a cycloalkyl, alkoxycarbonyl, aryl, arakyl, acyl (which includes anylsulphonyl) groups in which the alkyl group or the alkyl portion of the aralkyl group may be substituted with one or more hydroxy or esterified hydroxy groups and in which the aryl groups or the aryl portion of the acyl or aralkyl group may be substituted by one or more halogen atoms, alkyl groups, hydroxy groups, alkoxy groups, trifluoromethyl, nitro, amino or dialkylamino groups, and in which R.sup.5 - R.sup.8 which may be the same or different represent hydrogen atoms or alkyl groups except that not all groups may be hydrogen, or R.sup.5 and R.sup.6 or R.sup.7 and R.sup.8 together represent a carbonyl (=O) oxygen and in any of the pairs of groups R.sup.1 /R.sup.2, R.sup.3 /R.sup.4, R.sup.5 /R.sup.6 and R.sup.7 /R.sup.8 may represent a carbocyclic or heterocyclic ring system optionally substituted by lower alkyl or aryl groups, said ring being saturated or unsaturated. These compounds have utility as oral analgesics.

  通式I的化合物：##EQU1##其中R.sup.1 - R.sup.4可能相同也可能不同，代表氢原子，或C.sub.1-6直链或支链烷基，烯基或炔基或被环烷基取代的烷基，或代表环烷基，烷氧羰基，芳基，芳基烷基，酰基（包括任何磺酰基）基团，其中烷基或芳基烷基的烷基部分可以被一个或多个羟基或酯化羟基基团取代，芳基或酰基或芳基烷基的芳基部分可以被一个或多个卤素原子，烷基基团，羟基基团，烷氧基团，三氟甲基，硝基，氨基或二烷基氨基基团取代，且R.sup.5 - R.sup.8可能相同也可能不同，代表氢原子或烷基基团，除非所有基团都是氢原子，或R.sup.5和R.sup.6或R.sup.7和R.sup.8一起代表一个羰基（=O）氧原子，在R.sup.1 /R.sup.2，R.sup.3 /R.sup.4，R.sup.5 /R.sup.6和R.sup.7 /R.sup.8中的任何一对基团中，可能代表一个由较低烷基或芳基基团取代的脂环或杂环系统，所述环饱和或不饱和。这些化合物在口服止痛剂中具有应用价值。
• Nitrogen-containing heterocyclic compounds and their use as raf inhibitors
  申请人：——

  公开号：US20040209883A1

  公开（公告）日：2004-10-21

  Compounds and their use as pharmaceuticals particularly as Raf kinase inhibitors for the treatment of neurotraumatic diseases, cancer, chronic neurodegeneration, pain, migraine and cardiac hypertrophy.

  化合物及其作为药物的用途，特别是作为Raf激酶抑制剂治疗神经创伤性疾病、癌症、慢性神经退行性疾病、疼痛、偏头痛和心脏肥大。
• Ethylene diamine derivatives
  申请人：Allen & Hanburys Limited

  公开号：US04049663A1

  公开（公告）日：1977-09-20

  Compounds of the general formula I: ##STR1## in which R.sup.1 -R.sup.4 which may be the same or different represent hydrogen atoms, or C.sub.1-6 straight or branched chain alkyl, alkenyl or alkynyl group or an alkyl group substituted by a cycloalkyl group, or represents a cycloalkyl, alkoxycarbonyl, aryl, aralkyl, acyl (which includes arylsulphonyl) groups in which the alkyl group or the alkyl portion of the aralkyl group may be substituted with one or more hydroxy or esterified hydroxy groups and in which the aryl groups or the aryl portion of the acyl or aralkyl group may be substituted by one or more halogen atoms, alkyl groups, hydroxy groups, alkoxy groups, trifluoromethyl, nitro, amino or dialkylamino groups, and in which R.sup.5 -R.sup.8 which may be the same or different represent hydrogen atoms or alkyl groups except that not all groups may be hydrogen, or R.sup.5 and R.sup.6 or R.sup.7 and R.sup.8 together represent a carbonyl (.dbd.O) oxygen and in any of the pairs of groups R.sup.1 /R.sup.2, R.sup.3 /R.sup.4, R.sup.5 /R.sup.6 and R.sup.7 /R.sup.8 may represent a carbocyclic or heterocyclic ring system optionally substituted by lower alkyl or aryl groups, said ring being saturated or unsaturated. These compounds have utility as oral analgesics.

  通式为I的化合物：##STR1##其中，R.sup.1-R.sup.4可以相同或不同，代表氢原子，或C.sub.1-6直链或支链烷基，烯基或炔基或被环烷基取代的烷基，或代表环烷基，烷氧羰基，芳基，芳基烷基，酰基（包括芳基磺酰基）基团，其中烷基或芳基烷基的烷基部分可以被一个或多个羟基或酯化羟基取代，芳基基团或酰基或芳基烷基基团的芳基部分可以被一个或多个卤素原子，烷基基团，羟基，烷氧基，三氟甲基，硝基，氨基或二烷基氨基取代。R.sup.5-R.sup.8可以相同或不同，代表氢原子或烷基基团，但不是所有基团都可以是氢，或R.sup.5和R.sup.6或R.sup.7和R.sup.8一起代表一个羰基（.dbd.O）氧原子，在R.sup.1/R.sup.2，R.sup.3/R.sup.4，R.sup.5/R.sup.6和R.sup.7/R.sup.8中的任何一对基团中，可以代表一个由低烷基或芳基取代的碳环或杂环系统，该环可以饱和或不饱和。这些化合物在口服镇痛剂中有用。