1-[(1-甲基-1H-吡唑-4-基)甲基]哌嗪 | 1001757-59-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-[(1-甲基-1H-吡唑-4-基)甲基]哌嗪
• 英文名称: 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-piperazine
• 英文别名: 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine；1-[(1-methylpyrazol-4-yl)methyl]piperazine
• CAS: 1001757-59-0
• 化学式: C₉H₁₆N₄
• mdl: MFCD02254041
• 分子量: 180.253
• InChiKey: QQINQSPEYDVMCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-甲基-6-氯-1H-吡唑并[3,4-D]嘧啶-4(5H)-酮 、 1-[(1-甲基-1H-吡唑-4-基)甲基]哌嗪 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 生成 1-methyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE
  [FR] INHIBITEURS DE TANKYRASE À BASE DE PYRAZOLOPYRIMIDONE ET DE PYRAZOLOPYRIDONE

  摘要：

  提供了化合物的公式(I)或其药学上可接受的盐，其中Q、R1和R2如本文所定义。公式I的化合物对癌症的治疗具有用处。

  公开号：

  WO2013182546A1

文献信息

• [EN] THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS THÉRAPEUTIQUES DE PYRIDAZINE ET LEURS UTILISATIONS
  申请人：GENENTECH INC

  公开号：WO2016138114A1

  公开（公告）日：2016-09-01

  The present invention relates to compounds of formula (I): (I) and salts thereof, wherein: R1-R4 have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of BRG1, BRM and/or PB1. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various BRG1-mediated disorders, BRM-mediated disorders and/or PB1-mediated disorders.

  本发明涉及式(I)的化合物及其盐，其中：R1-R4具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作BRG1、BRM和/或PB1的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种BRG1介导的疾病、BRM介导的疾病和/或PB1介导的疾病中使用这些化合物和盐的方法。
• NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160311833A1

  公开（公告）日：2016-10-27

  The present application relates to novel 6-substituted indazoles having a carboxamide side chain, to processes for their preparation, to their use alone or in combinations for the treatment and/or prophylaxis of diseases, and to their use for producing medicaments for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of endometriosis, lymphomas, macular degeneration, COPD and psoriasis.

  本申请涉及具有羧酰胺侧链的新型6-取代吲唑的化合物，以及它们的制备方法，单独或组合用于治疗和/或预防疾病，以及用于制备用于治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防子宫内膜异位症、淋巴瘤、黄斑变性、慢性阻塞性肺病和牛皮癣。
• Development of autotaxin inhibitors: A series of tetrazole cinnamides
  作者：Christopher G. Thomson、Darren Le Grand、Mark Dowling、David Beattie、Lucy Elphick、Michael Faller、Mark Freeman、Elizabeth Hardaker、Victoria Head、Rene Hemmig、Johan Hill、Andrew Lister、David Pascoe、Sebastien Rieffel、Binesh Shrestha、Oliver Steward、Florence Zink

  DOI：10.1016/j.bmcl.2020.127663

  日期：2021.1

  A series of inhibitors of Autotaxin (ATX) have been developed from a high throughput screening hit, 1a, which shows an alternative binding mode to known catalytic site inhibitors. Selectivity over the hERG channel and microsomal clearance were dependent on the lipophilicity of the compounds, and this was optimised by reduction of clogD whilst maintaining high affinity ATX inhibition. Compound 15a shows

  已从高通量筛选结果1a中开发了一系列自分泌运动抑制因子（ATX），它显示了与已知催化部位抑制剂的另一种结合方式。在hERG通道上的选择性和微粒体清除率取决于化合物的亲脂性，这通过降低clogD来优化，同时保持了高亲和力ATX抑制。如药代动力学-药效学（PK / PD）实验所示，化合物15a表现出良好的口服暴露以及体内LPA形成的浓度依赖性抑制。
• PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE
  申请人：Genentech, Inc.

  公开号：US20130345215A1

  公开（公告）日：2013-12-26

  There are provided compounds of the formula or a pharmaceutically acceptable salt thereof, wherein Q, R 1 and R 2 are as defined herein. The compounds of formula I are useful in the treatment of cancer.

  提供的化合物的公式为或其药学上可接受的盐，其中Q，R1和R2的定义如本文所述。公式I的化合物在癌症治疗中有用。
• Chemical mechanical planarization for tungsten-containing substrates
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP2779217A2

  公开（公告）日：2014-09-17

  Chemical mechanical polishing (CMP) compositions for polishing tungsten or tungsten-containing substrates comprise an abrasive, at least one solid catalyst, a chemical additive selected from the groups consisting of piperazine derivatives, salts of cyanate, and combinations thereof; and a liquid carrier. Systems and processes use the aqueous formulations for polishing tungsten or tungsten-containing substrates.

  用于抛光钨或含钨基材的化学机械抛光（CMP）组合物包括磨料、至少一种固体催化剂、一种选自哌嗪衍生物、氰酸盐及其组合的化学添加剂；以及一种液体载体。系统和工艺使用水性制剂抛光钨或含钨基材。