N-phenylpiperazine-1-carboxamide hydrochloride | 474711-91-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-phenylpiperazine-1-carboxamide hydrochloride
• 英文别名: piperazine-1-carboxylic acid phenylamine hydrochloride；piperazine-1-carboxylic acid phenylamide hydrochloride；N-phenyl-1-piperazinecarboxamide, hydrochloride；N1-phenyl-1-piperazine carboxamide hydrochloride；N-phenylpiperazine-1-carboxamide;hydrochloride
• CAS: 474711-91-6
• 化学式: C₁₁H₁₅N₃O*ClH
• mdl: MFCD07687252
• 分子量: 241.721
• InChiKey: UZABGZZRNRUJIS-UHFFFAOYSA-N

物化性质

• 溶解度：
  30.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  44.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-phenylpiperazine-1-carboxamide hydrochloride 在 氢氧化钾 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 N-苯基-1-哌嗪羧酰胺
  参考文献：
  名称：

  WO2006/74025

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 4-(phenylcarbamoyl)piperazine-1-carboxylate 在 盐酸 作用下， 生成 N-phenylpiperazine-1-carboxamide hydrochloride
  参考文献：
  名称：

  苯喹啉瞬态受体潜在的香草酸1拮抗剂治疗疼痛：1-（2-苯基喹啉-4-羰基）-N-（4-（三氟甲基）苯基）吡咯烷-3-羧酰胺的发现

  摘要：

  本文报道的是设计，合成和药理学表征的一类在从喹古芬铅进化而来的苯基喹啉平台上构建的TRPV1拮抗剂。该设计包括三个部分：连接到脂族羧酰胺的苯基喹啉头基，该端基被束缚在苯基尾基上。该设计的优化导致鉴定出37个，其中包括一个吡咯烷连接子和一个三氟甲基-苯基尾巴。在TRPV1功能测定中，使用表达hTRPV1的细胞，有37种拮抗辣椒素诱导的Ca 2+内流，IC 50值为10.2 nM。在完整的小鼠镇痛模型中，37在不同的疼痛模型中，与阳性对照BCTC相比，它们显示出更好的抗伤害感受活性。所有这些结果表明，可以考虑将37种药物作为抗伤害性药物进一步开发的主要候选药物。

  DOI：

  10.1016/j.bmc.2017.12.048

文献信息

• [EN] AMINE COMPOUNDS<br/>[FR] DERIVES D'INDOLE SERVANT D'ANTAGONISTE DE SOMATOSTATINE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2004046107A1

  公开（公告）日：2004-06-03

  The present invention provide a compound of the formula (I) wherein ring A represents an aromatic ring optionally having substituents; B, Y and Ya are the same or different and each represents a bond, etc.; R1 and R2 are the same or different and each represents a hydrogen atom, etc.; R3 represents a hydrogen atom, etc.; R4 and R5 are the same or different and each represents a hydrogen, etc.; R6 represents an indolyl group optionally having substituents; and Z and Za are the same or different and each represents a hydrogen atom, etc.; or a salt thereof or a prodrug thereof, having a somatostatin receptor binding inhibition activity and is useful for preventing and/or treating diseases associated with somatostatin.

  本发明提供了一种公式(I)的化合物，其中环A代表一个具有可选取代基的芳香环；B、Y和Ya相同或不同，分别代表一个键等；R1和R2相同或不同，每个代表一个氢原子等；R3代表一个氢原子等；R4和R5相同或不同，每个代表一个氢等；R6代表一个可选有取代基的吲哚基团；Z和Za相同或不同，每个代表一个氢原子等；或其盐或前药，具有生长抑素受体结合抑制活性，并且用于预防或治疗与生长抑素相关的疾病。
• [EN] INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE<br/>[FR] INHIBITEURS DE LA VIRULENCE DE PSEUDOMONAS AERUGINOSA
  申请人：CHANNEL THERAPEUTICS INC

  公开号：WO2019060809A1

  公开（公告）日：2019-03-28

  Disclosed are piperazine derivative compounds, particularly piperazine derivative compounds having a structure of Formula (I) and methods for preparing these compounds. Also disclosed are use of a therapeutically effective amount of the compound of Formula (I) or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition therefore for inhibiting quorum sensing of a bacteria.

  本文披露了哌嗪衍生物化合物，特别是具有式（I）结构的哌嗪衍生物化合物以及制备这些化合物的方法。还披露了使用式（I）化合物或其药学上可接受的盐的治疗有效量，或者用于抑制细菌的群体感应的药物组合物。
• [EN] LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LYSYL OXYDASE-LIKE 2 ET UTILISATIONS DESDITS INHIBITEURS
  申请人：PHARMAKEA INC

  公开号：WO2017003862A1

  公开（公告）日：2017-01-05

  Described herein are compounds that are LOXL2 inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with LOXL2 activity.

  本文描述了一些是LOXL2抑制剂的化合物，制备这些化合物的方法，包含这些化合物的制药组合物和药物，以及使用这些化合物治疗与LOXL2活性相关的疾病、病症或疾病的方法。
• Indole derivatives as somatostatin agonists or antagonists
  申请人：Abe Hidenori

  公开号：US20060223826A1

  公开（公告）日：2006-10-05

  The present invention provide a compound of the formula (I) wherein ring A represents an aromatic ring optionally having substituents; B, Y and Ya are the same or different and each represents a bond, etc.; R 1 and R 2 are the same or different and each represents a hydrogen atom, etc.; R 3 represents a hydrogen atom, etc.; R 4 and R 5 are the same or different and each represents a hydrogen, etc.; R 6 represents an indolyl group optionally having substituents; and Z and Za are the same or different and each represents a hydrogen atom, etc.; or a salt thereof or a prodrug thereof, having a somatostatin receptor binding inhibition activity and is useful for preventing and/or treating diseases associated with somatostatin.

  本发明提供了一种化合物(I)的公式，其中环A代表一种芳香环，可选地具有取代基; B、Y和Ya相同或不同，每个代表一种键等; R1和R2相同或不同，每个代表一个氢原子等; R3代表一个氢原子等; R4和R5相同或不同，每个代表一个氢等; R6代表一种吲哚基，可选地具有取代基; Z和Za相同或不同，每个代表一个氢原子等; 或其盐或前药，具有生长抑素受体结合抑制活性，并用于预防和/或治疗与生长抑素相关的疾病。
• NITROGENOUS FUSED&minus;RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF
  申请人：Eisai Co., Ltd.

  公开号：EP1382603A1

  公开（公告）日：2004-01-21

  The present invention provides a compound having an excellent inhibitory action on activation of STAT6 and a pharmaceutical composition thereof. Inparticular, it provides a compound represented by the following formula (I), a salt thereof or a hydrate of them. In the formula, X represents a nitrogen-containing condensed aromatic heterocyclic group such as imidazo[1,2-a]pyridine, benzimidazole, quinazoline, quinoline, or 2,1-benzisoxazole and has (R4)n as substituent groups; Y represents a C3-8 cycloalkyl group, C4-8 cycloalkenyl group, 5- to 14-membered non-aromatic heterocyclic group, C6-14 aromatic hydrocarbon cyclic group or 5- to 14-membered aromatic heterocyclic group; n in (R4)n is 0, 1, 2 or 3, and Z groups independently represent (1) hydrogen atom, (2) amino group, (3) halogen atom, (4) hydroxyl group, (5) nitro group, (6) cyano group, (7) azido group, (8) formyl group, (9) hydroxyamino group, (10) sulfamoyl group, (11) guanodino group, (12) oxo group, (13) C2-6 alkenyl group, (14) C1-6 alkoxy group, (15) C1-6 alkylhydroxyamino group, (16) halogenated C1-6 alkyl group, (17) halogenated C2-6 alkenyl group, (18) (i) C3-7cycloalkyl group, (ii) C3-7cycloalkenyl group, (iii) 5- to 14-membered non-aromatic heterocyclic group, each of which may have one or more substituent groups Q, or (19) formula -M1-M2-M3, R1 represents (1) hydrogen atom, (2) halogen atom, (3) hydroxyl group, (4) nitro group, (5) cyano group, (6) halogenated C1-6 alkyl group, (7) C2-6 alkyl group substituted with a hydroxyl or cyano group, (8) C2-6 alkenyl group, or (9) formula -L1-L2-L3, and R2 represents a hydrogen atom or a protecting group; and R3 represents a hydrogen atom, halogen atom, cyano group, amino group, C1-4 alkyl group or halogenated C1-4 alkyl group.

  本发明提供了一种对 STAT6 的活化具有极佳抑制作用的化合物及其药物组合物。特别是提供了由下式（I）代表的化合物、其盐或它们的水合物。 式中，X代表含氮缩合芳香杂环基团，如咪唑并[1,2-a]吡啶、苯并咪唑、喹唑啉、喹啉或2,1-苯并异噁唑，并有(R4)n作为取代基；Y代表C3-8环烷基、C4-8环烯基、5～14元非芳香杂环基团、C6-14芳香烃环基或5～14元芳香杂环基团；(R4)n 中的 n 是 0、1、2 或 3，Z 基团独立地代表：(1) 氢原子，(2) 氨基，(3) 卤素原子，(4) 羟基，(5) 硝基，(6) 氰基，(7) 叠氮基，(8) 甲酰基，(9) 羟基氨基、(10) 氨基磺酰基，(11) 氨基胍基，(12) 氧代基，(13) C2-6 烯基，(14) C1-6 烷氧基，(15) C1-6 烷基羟基氨基，(16) 卤代 C1-6 烷基，(17) 卤代 C2-6 烯基，(18) (i) C3-7 环烷基、(ii) C3-7 环烯基，(iii) 5-14 元非芳杂环基团，其中每个基团可有一个或多个取代基 Q，或 (19) 式-M1-M2-M3，R1 代表 (1) 氢原子，(2) 卤素原子，(3) 羟基、(4) 硝基，(5) 氰基，(6) 卤代 C1-6 烷基，(7) 被羟基或氰基取代的 C2-6 烷基，(8) C2-6 烯基，或 (9) 式-L1-L2-L3，R2 代表氢原子或保护基团；R3 代表氢原子、卤素原子、氰基、氨基、C1-4 烷基或卤代 C1-4 烷基。