(1-(4-甲基哌嗪-1-基)环己基)甲胺 | 41805-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: (1-(4-甲基哌嗪-1-基)环己基)甲胺
• 英文名称: 1-[1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
• 英文别名: (1-(4-methylpiperazin-1-yl)cyclohexyl)methanamine；C-[1-(4-methyl-piperazin-1-yl)-cyclohexyl]-methylamine；1-(1-Aminomethylcyclohexyl)-4-methyl piperazine；[1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
• CAS: 41805-59-8
• 化学式: C₁₂H₂₅N₃
• mdl: MFCD05201359
• 分子量: 211.351
• InChiKey: JVUTULSYUBFRCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 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：
  32.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1-(4-甲基哌嗪-1-基)环己基)甲胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  丙酰胺衍生物作为双 μ-阿片受体激动剂和 σ1 受体拮抗剂用于治疗疼痛

  摘要：

  开发了一系列新的丙酰胺衍生物作为μ阿片受体双重激动剂和σ1受体拮抗剂。对高通量筛选命中的修饰产生了一系列哌嗪基环烷基甲基丙酰胺，其被探索以克服实现平衡的双重活性和方便的类药特性的挑战。鉴定出的先导化合物18g在多种急性（爪压）和慢性（部分坐骨神经结扎）疼痛动物模型中显示出良好的镇痛效果，与羟考酮相比，胃肠道影响减轻。

  DOI：

  10.1021/acs.jmedchem.1c00417
• 作为产物：
  描述：

  1-(1-氰基-环己基)-4-甲基-哌嗪 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.0h， 生成 (1-(4-甲基哌嗪-1-基)环己基)甲胺
  参考文献：
  名称：

  丙酰胺衍生物作为双 μ-阿片受体激动剂和 σ1 受体拮抗剂用于治疗疼痛

  摘要：

  开发了一系列新的丙酰胺衍生物作为μ阿片受体双重激动剂和σ1受体拮抗剂。对高通量筛选命中的修饰产生了一系列哌嗪基环烷基甲基丙酰胺，其被探索以克服实现平衡的双重活性和方便的类药特性的挑战。鉴定出的先导化合物18g在多种急性（爪压）和慢性（部分坐骨神经结扎）疼痛动物模型中显示出良好的镇痛效果，与羟考酮相比，胃肠道影响减轻。

  DOI：

  10.1021/acs.jmedchem.1c00417

文献信息

• NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF
  申请人：VIVOZON, INC.

  公开号：US20140336378A1

  公开（公告）日：2014-11-13

  Disclosed are a novel benzamide derivative and pharmaceutical use thereof, and more particularly, a novel benzamide derivative having a structure of Formula 1 or pharmaceutically acceptable salts thereof, and a composition for prevention or treatment of pain or itching including the above material. The novel benzamide derivative and pharmaceutically acceptable salt thereof according to the present invention exhibit excellent pain-suppressive effect and, in particular, pain-suppressive effect in not only a neuropathic animal model but also other models such as a formalin model, and therefore, may be used in suppression of different pains such as nociceptive pain, chronic pain, etc. Further, since it was demonstrated that the present invention displays anti-pruritic efficacy even in an itching model, to which a mechanism and treatment concept established with respect to pain is applied, the present invention may also be effectively used in radical treatment of atopic dermatitis by applying the inventive product to an anti-pruritic composition in order to suppress an initial itching stage and treat symptoms thereof, thus preventing skin damage or inflammation after the scratching stage.

  揭示了一种新的苯甲酰胺衍生物及其药用，更具体地说，一种具有化学式1结构或其药用盐的新苯甲酰胺衍生物，以及包括上述材料的用于预防或治疗疼痛或瘙痒的组合物。根据本发明，所述新的苯甲酰胺衍生物及其药用盐表现出优异的镇痛效果，特别是在不仅神经病理动物模型中而且其他模型如福尔马林模型中表现出的镇痛效果，因此，可用于抑制不同类型的疼痛，如伤害性疼痛、慢性疼痛等。此外，由于证明了本发明在瘙痒模型中显示出抗瘙痒功效，应用于疼痛方面建立的机制和治疗概念，因此，本发明还可通过将创新产品应用于抗瘙痒组合物中，以抑制初始瘙痒阶段并治疗其症状，从而预防刮痒阶段后的皮肤损伤或炎症。
• 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。
• 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。
• INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME
  申请人：University Health Network

  公开号：US20140371202A1

  公开（公告）日：2014-12-18

  The present teaching provide indazole compounds represented by Structural Formulae (I) or (I′) or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof as protein kinase inhibitors, such as TTK protein kinase, polo-like kinase 4 (PLK4) and Aurora kinases having anticancer activity against breast cancer cells, colon cancer cells, and ovarian cancer cells.

  本教学提供由结构式（I）或（I'）所代表的吲唑化合物或其药学上可接受的盐。还描述了制备药物组合物和使用方法，作为蛋白激酶抑制剂，例如TTK蛋白激酶，极化样激酶4（PLK4）和极化激酶，对乳腺癌细胞，结肠癌细胞和卵巢癌细胞具有抗癌活性。
• Discovery of a novel series of selective HCN1 blockers
  作者：Kelly J. McClure、Michael Maher、Nancy Wu、Sandra R. Chaplan、William A. Eckert、Dong H. Lee、Alan D. Wickenden、Michelle Hermann、Brett Allison、Natalie Hawryluk、J. Guy Breitenbucher、Cheryl A. Grice

  DOI：10.1016/j.bmcl.2011.07.051

  日期：2011.9

  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.