N-[4-[1-[2-(6-甲基吡啶-2-基)乙基]哌啶-4-羰基]苯基]甲烷磺酰胺 | 113558-89-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: N-[4-[1-[2-(6-甲基吡啶-2-基)乙基]哌啶-4-羰基]苯基]甲烷磺酰胺
• 英文名称: E-4031
• 英文别名: N-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl] methanesulfonamide；N-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamide；N-(4-[(1-[2-(6-methyl-2-pyridyl)ethyl]-4-piperidyl)-carbonyl]phenyl)methanesulphonamide；N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide；(1-[2-(6-methyl-2-pyridyl)ethyl]-4-(4-methylsulfonyl-aminobenzoyl)piperidine)；1-[2-(6-methyl-2-pyridyl)ethyl]-4-(4-methylsulfonyl aminobenzoyl)piperidine
• CAS: 113558-89-7
• 化学式: C₂₁H₂₇N₃O₃S
• 分子量: 401.53
• InChiKey: SRUISGSHWFJION-UHFFFAOYSA-N

物化性质

• 沸点：
  561.7±60.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于 DMSO（高达 25 mg/ml）或水（高达 100 mg/ml）。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-苯基甲磺酰胺 在 盐酸 、 三氯化铝 、 sodium acetate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 N-[4-[1-[2-(6-甲基吡啶-2-基)乙基]哌啶-4-羰基]苯基]甲烷磺酰胺
  参考文献：
  名称：

  4'-[（4-哌啶基）羰基]甲磺酰苯胺作为有效的，选择性的，生物利用的III类抗心律不齐药物。

  摘要：

  DOI：

  10.1021/jm00165a003

文献信息

• N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents
  申请人：American Cyanamid Company

  公开号：EP0792873A1

  公开（公告）日：1997-09-03

  The present invention relates to substituted ω-[phenoxy, phenylthio, phenylsulfinyl, phenylsulfonyl] [alkyl, alkenyl or alkynyl]amine carboxamides, sulfonamides and phosphonylamides which are useful as antiarrhythmic agents.

  本发明涉及替代的ω-[苯氧基、苯硫基、苯亚硫基、苯砜基][烷基、烯基或炔基]胺羧酰胺、磺胺和磷酰胺，其作为抗心律失常药物具有用途。
• TETRAHYDROPYRIDOPYRAZINE MODULATORS OF GPR6
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20180360831A1

  公开（公告）日：2018-12-20

  Disclosed is a compound of Formula 1, and a pharmaceutically acceptable salt thereof. This disclosure also relates to materials and methods for preparing the compound of Formula 1, to pharmaceutical compositions which contain it, and to its use for treating diseases, disorders, and conditions associated with GPR6.

  本发明涉及公式1的化合物及其药学上可接受的盐。本发明还涉及制备公式1化合物的材料和方法，含有该化合物的药物组合物，以及其用于治疗与GPR6相关的疾病、障碍和病况的用途。
• Piperidine derivative and pharmaceutical composition containing the same
  申请人：Eisai Co., Ltd.

  公开号：US04876262A1

  公开（公告）日：1989-10-24

  A new piperidine compound is pharmacologically effective for treatment of the arrythmia and is defined by the formula: ##STR1## in which R1 is a lower alkyl or a tolyl, R2 is hydrogen, hydroxyl, a lower alkoxy or a lower alkyl, R3 is hydrogen, a lower alkyl, a lower alkenyl, a cycloalkyl or a cycloalkylalkyl, X is --CO--, --CH2-- or --CHOH--, g is an integer of 1 to 3, h is an integer of 1 to 3, Y is hydrogen, a lower alkyl, a lower alkenyl, cyano, --CH2COOR, R being hydrogen or a lower alkyl, a cycloalkyl, a cycloalkylalkyl, ##STR2## 1 being 1 or 2, --A--B, A being --(CH2)n--, n being an integer of 1 to 5, a straight-chain alkylene group having 1 to 5 carbon atoms which is a divalent group derived from a straight-chain alkane having lower alkyl, phenyl or hydroxyl group(s) bonded directly to one or more carbon atoms constituting said alkane by removing a hydrogen atom bonded to each of the carbon atoms placed at both ends thereof, a straight-chain alkylene group having 1 to 5 carbon atoms which is a divalent group derived from a straight-chain alkene having a double bond formed between carbon atoms adjacent to each other by removing a hydrogen atom bonded to each of the carbon atoms placed at both ends thereof, --(CH2)k--S--, k being an integer of 2 to 5, --(CH2)p-CO--, p being an integer of 1 to 4, B being cyano, --NR4R5, a heterocyclic ring or a condensed aromatic ring.

  一种新的哌啶化合物在治疗心律失常方面具有药理学效果，其化学式为：##STR1## 其中R1是较低的烷基或甲苯基，R2是氢、羟基、较低的烷氧基或较低的烷基，R3是氢、较低的烷基、较低的烯基、环烷基或环烷基烷基，X是--CO--、--CH2--或--CHOH--，g是1到3的整数，h是1到3的整数，Y是氢、较低的烷基、较低的烯基、氰基、--CH2COOR，其中R是氢或较低的烷基、环烷基、环烷基烷基，##STR2## 其中1为1或2，--A--B，其中A为--(CH2)n--，n为1到5的整数，一种直链烷基，具有1到5个碳原子，是由直链烷烃中的较低烷基、苯基或羟基直接键合到构成该烷烃的一个或多个碳原子上，通过去除两端的碳原子上的每个氢原子而得到的二价基团，一种直链烷基，具有1到5个碳原子，是由直链烯烃中相邻的碳原子之间形成的双键通过去除两端的碳原子上的每个氢原子而得到的二价基团，--(CH2)k--S--，k为2到5的整数，--(CH2)p-CO--，p为1到4的整数，B为氰基、--NR4R5、杂环或融合芳香环。
• Novel therapeutic agents for membrane transporters
  申请人：——

  公开号：US20030044845A1

  公开（公告）日：2003-03-06

  Novel multi-binding compounds (agents) are disclosed which bind cell membrane transporters including ion channels, molecular transporters and ion pumps. The compounds of this invention comprise from 2 to 10 ligands each of which can bind to such cellular transporters to modulate the biological processes/functions thereof. Each of the ligands is covalently attached to a linker (framework) to provide for a multi-binding compound. The linker is selected such that the multi-binding compound exhibits increased modulation of the biological processes/functions of the transporter as compared to the aggregate of the individual ligand units made available for binding to the transporter.

  本发明揭示了一种新型多重结合化合物（试剂），其结合细胞膜转运体，包括离子通道、分子转运体和离子泵。本发明的化合物包括2到10个配体，每个配体都可以结合到这些细胞转运体上，以调节其生物过程/功能。每个配体都共价地连接到一个连接器（框架）上，以提供多重结合化合物。所选择的连接器是为了使多重结合化合物相比可用于结合转运体的单个配体单元的聚合体表现出增强的调节转运体的生物过程/功能的特性。
• AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS
  申请人：LICHTER Jay

  公开号：US20090306225A1

  公开（公告）日：2009-12-10

  Disclosed herein are compositions and methods for the treatment of otic disorders with immunomodulating agents and auris pressure modulators. In these methods, the auris compositions and formulations are administered locally to an individual afflicted with an otic disorder, through direct application of the immunomodulating and/or auris pressure modulating compositions and formulations onto the auris media and/or auris interna target areas, or via perfusion into the auris media and/or auris interna structures.

  本文公开了使用免疫调节剂和耳压调节剂治疗耳部疾病的组合物和方法。在这些方法中，通过将免疫调节剂和/或耳压调节剂组合物和配方直接应用于耳媒介和/或耳内靶区，或通过灌注进入耳媒介和/或耳内结构，局部给患有耳部疾病的个体进行治疗。