1-(4-异丙基苄基)哌嗪 | 23145-95-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-(4-异丙基苄基)哌嗪
• 中文别名: 1-[(4-异丙苯基)甲基]哌嗪；1-[(4-丙-2-基苯基)甲基]哌嗪；1-(4-异丙苄基)哌嗪
• 英文名称: 1-(4-isopropylbenzyl)piperazine
• 英文别名: 1-(p-Isopropylbenzyl)piperazine；1-(4-isopropyl-benzyl)-piperazine；1-(4-Isopropyl-benzyl)-piperazin；1-[(4-propan-2-ylphenyl)methyl]piperazine
• CAS: 23145-95-1
• 化学式: C₁₄H₂₂N₂
• mdl: MFCD05189157
• 分子量: 218.342
• InChiKey: HOBCRUDGINOFNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-(4-异丙基苄基)哌嗪 在 碳酸氢钠 、 肼 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 2-(4-(4-isopropylbenzyl)piperazin-1-yl)acetohydrazide
  参考文献：
  名称：

  Parallel Synthesis and Biological Evaluation of 837 Analogues of Procaspase-Activating Compound 1 (PAC-1)

  摘要：

  Procaspase-Activating Compound 1 (PAC-1) is an ortho-hydroxy N-acyl hydrazone that enhances the enzymatic activity of procaspase-3 in vitro and induces apoptosis in cancer cells. An analogue of PAC-1, called S-PAC-1, was evaluated in a veterinary clinical trial in pet dogs with lymphoma and found to have considerable potential as an anticancer agent. With the goal of identifying more potent compounds in this promising class of experimental therapeutics, a combinatorial library based on PAC-1 was created, and the compounds were evaluated for their ability to induce death of cancer cells in culture. For library construction, 31 hydrazides were condensed in parallel with 27 aldehydes to create 837 PAC-1 analogues, with an average purity of 91%. The compounds were evaluated for their ability to induce apoptosis in cancer cells, and through this work, six compounds were discovered to be substantially more potent than PAC-1 and S-PAC-1. These six hits were further evaluated for their ability to relieve zinc-mediated inhibition of procaspase-3 in vitro. In general, the newly identified hit compounds are two- to four-fold more potent than PAC-1 and S-PAC-1 in cell culture, and thus have promise as experimental therapeutics for treatment of the many cancers that have elevated expression levels of procaspase-3.

  DOI：

  10.1021/co2001372
• 作为产物：
  描述：

  1-(p-Isopropylbenzyl)piperazine hydrochloride 在 NaCHO₃ 作用下， 生成 1-(4-异丙基苄基)哌嗪
  参考文献：
  名称：

  Piperazino-functionalized silica gel as a deblocking-scavenging agent for the 9-fluorenylmethyloxycarbonyl amino-protecting group

  摘要：

  DOI：

  10.1021/jo00153a009

文献信息

• DIPHENYL DERIVATIVES AND USES THEREOF
  申请人：NOVARTIS AG

  公开号：US20190077773A1

  公开（公告）日：2019-03-14

  The present disclosure provides a compound of formula (I): or a pharmaceutically acceptable salt thereof, and its therapeutic uses for activating a growth factor pathway, promoting wound healing, promoting tissue repair, and treating hearing loss, skeletal muscle loss, organ degeneration, tissue damage, neurodegeneration, and muscular atrophy. The disclosure further provides pharmaceutical compositions and combinations. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开提供了一种公式(I)的化合物： 或其药用可接受的盐，以及其用于激活生长因子途径、促进伤口愈合、促进组织修复以及治疗听力损失、骨骼肌损失、器官退化、组织损伤、神经退化和肌肉萎缩的治疗用途。本公开还提供了药物组合物和组合物。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• Indoline and piperazine containing derivatives as a novel class of mixed D2/D4 receptor antagonists. Part 1: Identification and structure–activity relationships
  作者：He Zhao、Andrew Thurkauf、Xiaoshu He、Kevin Hodgetts、Xiaoyan Zhang、Stanislaw Rachwal、Renata X. Kover、Alan Hutchison、John Peterson、Andrzej Kieltyka、Robbin Brodbeck、Renee Primus、Jan W.F. Wasley

  DOI：10.1016/s0960-894x(02)00655-8

  日期：2002.11

  Optimization of the lead compound 2-[-4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihydro-indol-1-yl)-ethanone 1 by systematic structure-activity relation (SAR) studies lead to two potent compounds 2-[-4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2-methy-2,3-dihydro-indol-1-yl)-ethanone 2n and 2-[-4-(4-chloro-benzyl)-piperazin-1-yl]-1-(2-methy-2,3-dihydro-indol-1-yl)-ethanone 7b. Their related synthesis was

  通过系统结构-活性关系最优化铅化合物2-[-4-（4-氯苄基）-哌嗪-1-基] -1-（2,3-二氢-吲哚-1-基）-乙酮1 （SAR）研究产生了两种有效的化合物2-[-4-（4-氯-苄基）-哌嗪-1-基] -1-（2-甲基-2,3-二氢-吲哚-1-基）-乙酮2n和2-[-4-（4-氯苄基）-哌嗪-1-基] -1-（2-甲基-2,3-二氢-吲哚-1-基）-乙酮7b。还报道了它们的相关合成。
• PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS
  申请人：The Board of Trustees of the University of Illinoi

  公开号：US20130096133A1

  公开（公告）日：2013-04-18

  The invention provides compounds and compositions useful for the modulation of certain enzymes. The compounds and compositions can induce of cell death, particularly cancer cell death. The invention also provides methods for the synthesis and use of the compounds and compositions, including the use of compounds and compositions in therapy for the treatment of cancer and selective induction of apoptosis in cells.

  这项发明提供了用于调节某些酶的化合物和组合物。这些化合物和组合物可以诱导细胞死亡，特别是癌细胞死亡。该发明还提供了合成和使用这些化合物和组合物的方法，包括在治疗癌症和选择性诱导细胞凋亡中使用这些化合物和组合物的方法。
• XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS
  申请人：Southern Research Institute

  公开号：US20200399271A1

  公开（公告）日：2020-12-24

  The present disclosure is concerned with xanthine analogs, methods of making xanthine analogs, and methods of treating West Nile virus using these analogs. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本公开涉及黄嘌呤类似物，制备黄嘌呤类似物的方法，以及使用这些类似物治疗西尼罗河病毒的方法。本摘要旨在作为特定领域搜索的扫描工具，不打算限制本发明。
• ACTIVATOR OF ADIPONECTIN RECEPTOR
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160214967A1

  公开（公告）日：2016-07-28

  An AdipoR activator for activating both AdipoR1 and AdipoR2 is provided. A compound represented by the following formula (1), wherein A is a substituted or unsubstituted aryl group or the like, Y 1 is (CHR 2 ) a — or the like, X is CH or N, R 1 is a C 1-7 alkyl group, m is an integer of 0-4, Y 2 is *—O—CH 2 —CONH—, *—CONH—(CH 2 ) b —CO— or the like, Z is a cyclic group, B may be a substituent of the cyclic group represented by Z, and n is an integer of 0-3.

  提供了一种用于激活AdipoR1和AdipoR2的AdipoR激活剂。以下式（1）表示的化合物，其中A是取代或未取代的芳基或类似物，Y1是（CHR2）a—或类似物，X是CH或N，R1是C1-7烷基基团，m是0-4的整数，Y2是*—O—CH2—CONH—，*—CONH—（CH2）b—CO—或类似物，Z是环基团，B可以是Z代表的环基团的取代基，n是0-3的整数。