ethyl-4-(2-pyridyl)-1-piperazine carboxylate | 158399-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: ethyl-4-(2-pyridyl)-1-piperazine carboxylate
• 英文别名: 4-[2]pyridyl-piperazine-1-carboxylic acid ethyl ester；4-[2]Pyridyl-piperazin-1-carbonsaeure-aethylester；ethyl 4-(2-pyridinyl)-1-piperazinecarboxylate；ethyl 4-pyridin-2-ylpiperazine-1-carboxylate
• CAS: 158399-58-7
• 化学式: C₁₂H₁₇N₃O₂
• mdl: MFCD02930485
• 分子量: 235.286
• InChiKey: FBAQSPMGDHKGDK-UHFFFAOYSA-N

物化性质

• 熔点：
  66-67 °C
• 沸点：
  378.4±32.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl-4-(2-pyridyl)-1-piperazine carboxylate 在 盐酸 作用下， 生成 1-(2-吡啶基)哌嗪
  参考文献：
  名称：

  Piperazines. II. 1-Heterocyclicpiperazines and 1-Hetero-Cyclic-4-Carbethoxypiperazines

  摘要：

  DOI：

  10.1021/jo50017a004
• 作为产物：
  描述：

  2-氯吡啶 、 N-哌嗪甲酸乙酯 在 镍 苯乙烯 、 2,2'-联吡啶 、 sodium tert-pentoxide 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以69%的产率得到ethyl-4-(2-pyridyl)-1-piperazine carboxylate
  参考文献：
  名称：

  Nickel-catalysed couplings of aryl chlorides with secondary amines and piperazines

  摘要：

  The reaction of aryl chlorides with secondary amines or piperazines in the presence of an in situ generated liganded nickel catalyst gives arylamines in good yields. Our process provides a mild, convenient and cheap method of arylamination starting from readily available substrates. (C) 1999;Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00788-7

文献信息

• Substituted azolone derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US05650411A1

  公开（公告）日：1997-07-22

  The use for the manufacture of a medicament for treating Helicobacter-related diseases of a compound of formula ##STR1## a pharmaceutically acceptable acid addition salt or a stereochemically isomeric form thereof, wherein X and Y each independently are CH or N; R.sup.1, R.sup.2 and R.sup.3 each independently are hydrogen or C.sub.1-4 alkyl; R.sup.4 and R.sup.5 each independently are hydrogen, halo, C.sub.1-4 alkyl, C.sub.1-4 alkyloxy, hydroxy, trifluoromethyl, trifluoromethyloxy or difluoromethyloxy; Z is C.dbd.O or CHOH; and Ar is phenyl optionally substituted with up to three substituents selected from hydroxy, C.sub.1-4 alkyl, C.sub.1-4 alkyloxy, halo, trifluoromethyl, triC.sub.1-4 alkylsilyloxy, nitro, amino and cyano or pyridinyl substituted with hydroxy or C.sub.1-4 alkyloxy; and --A-- is a radical of formula ##STR2##

  将化合物的制备用于治疗幽门螺杆菌相关疾病的药物的使用，其中该化合物的结构式为##STR1##，其药学上可接受的酸盐或立体化异构体形式，其中X和Y各自独立地为CH或N；R.sup.1、R.sup.2和R.sup.3各自独立地为氢或C.sub.1-4烷基；R.sup.4和R.sup.5各自独立地为氢、卤素、C.sub.1-4烷基、C.sub.1-4烷氧基、羟基、三氟甲基、三氟甲氧基或二氟甲氧基；Z为C.dbd.O或CHOH；Ar为苯基，可选地从羟基、C.sub.1-4烷基、C.sub.1-4烷氧基、卤素、三氟甲基、三C.sub.1-4烷基硅氧基、硝基、氨基和氰基中选择最多三个取代基取代，或者为带有羟基或C.sub.1-4烷氧基的吡啶基；--A--为结构式##STR2##中的基。
• 1-cyano-pyrrolidine compounds as USP30 inhibitors
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US10343992B2

  公开（公告）日：2019-07-09

  The present invention relates to novel compounds and method for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 (USP30). The invention further relates to the use of DUB inhibitors in the treatment of conditions involving mitochondrial dysfunction and cancer. Compounds of the invention include compounds having the formula (II) or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, R5, R8, R9, R10, R12, Z, Y and m are as defined herein.

  本发明涉及新型化合物和去泛素化酶（DUB）抑制剂的制造方法。特别是，本发明涉及泛素 C 端水解酶 30（USP30）的抑制。本发明还涉及 DUB 抑制剂在治疗线粒体功能障碍和癌症方面的用途。本发明的化合物包括具有式(II)的化合物或其药学上可接受的盐，其中R1、R2、R3、R4、R5、R8、R9、R10、R12、Z、Y和m如本文所定义。
• SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0684821A1

  公开（公告）日：1995-12-06
• 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US20180086708A1

  公开（公告）日：2018-03-29

  The present invention relates to novel compounds and method for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 (USP30). The invention further relates to the use of DUB inhibitors in the treatment of conditions involving mitochondrial dysfunction and cancer. Compounds of the invention include compounds having the formula (II) or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 8 , R 9 , R 10 , R 12 , Z, Y and m are as defined herein.
• [EN] SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER<br/>[FR] DERIVES DE L'AZOLONE A SUBSTITUTION UTILISES DANS LE TRAITEMENT DE MALADIES PROVOQUEES PAR L'HELICOBACTER
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：WO1994018978A1

  公开（公告）日：1994-09-01

  (EN) The use for the manufacture of a medicament for treating $i(Helicobacter)-related diseases of a compound of formula (I), a pharmaceutically acceptable acid addition salt or a stereochemically isomeric form thereof, wherein X and Y each independently are CH or N; R1, R2 and R3 each independently are hydrogen or C1-4alkyl; R4 and R5 each independently are hydrogen, halo, C1-4alkyl, C1-4alkyloxy, hydroxy, trifluoromethyl, trifluoromethyloxy or difluoromethyloxy; Z is C = O or CHOH; and Ar is phenyl optionally substituted with up to three substituents selected from hydroxy, C1-4alkyl, C1-4alkyloxy, halo, trifluoromethyl, triC1-4alkylsilyloxy, nitro, amino and cyano or pyridinyl substituted with hydroxy or C1-4alkyloxy; and (a) is a radical of formula (a-1), (a-2), (a-3), (a-4), (a-5), (a-6), or (a-7).(FR) L'invention concerne l'utilisation, pour la fabrication d'un médicament pour traiter les maladies induites par l'$i(Hélicobacter), d'un composé de la formule (I), de son sel d'addition d'acide ou de sa forme stréréochimiquement isomère, pharmaceutiquement acceptables. Dans cette formule X et Y représentent chacun indépendamment CH ou N, R1, R2 et R3 représentent chacun indépendamment hydrogène ou alkyle C1-4; R4 et R5 représentent chacun indépendamment hydrogène, halo, alkyle C1-4, alkyloxy C1-4, hydroxy, trifluorméthyle, trifluorométhyloxy ou difluorométhyloxy; Z représente C = O ou CHOH; et Ar représente un phényle optionnellement substitué par jusqu'à trois substituents sélectionnés parmi hydroxy, alkyle C1-4, alkyloxy C1-4, halo, trifluorométhyle, trialkylsilyloxy C1-4, nitro, amino et cyano ou pyridinyle substitué par hydroxy ou alkyloxy C1-4; et (a) est un radical de formule (a-1), (a-2), (a-3), (a-4), (a-5), (a-6), or (a-7).