(2R,6S)-1,2,6-trimethylpiperazine dihydrochloride

• 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: (2R,6S)-1,2,6-trimethylpiperazine dihydrochloride
• 英文别名: cis-3,4,5-trimethyl-piperazine bishydrochloride；(2S,6R)-1,2,6-trimethylpiperazine dihydrochloride；(2S,6R)-1,2,6-trimethylpiperazine hydrochloride；(2R,6S)-1,2,6-trimethylpiperazine;hydrochloride
• 化学式: C₇H₁₆N₂*2ClH
• 分子量: 201.139
• InChiKey: SYRQXHPCMRCMPZ-UKMDXRBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2R,6S)-1,2,6-trimethylpiperazine dihydrochloride 、 1-cyclobutyl-5-[13-cyclohexyl-3-methoxy-10-[[[(1-methylethyl)sulfonyl]amino]carbonyl]-7H-indolo[2,1-a][2]benzazepin-6-yl]-1H-pyrazole-4-carboxylic acid-5-methyl 在 N-甲基吗啉 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以48.6%的产率得到6-[1-cyclobutyl-3-methyl-4-((2S,6R)-1,2,6-trimethylpiperazin-4-ylcarbonyl)-1H-pyrazol-5-yl]-13-cyclohexyl-3-methoxy-N-[(1-methylethyl)sulfonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
  参考文献：
  名称：

  Compounds for the Treatment of Hepatitis C

  摘要：

  这项发明涵盖了公式I的化合物，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒（HCV）具有活性，并可用于治疗感染HCV的人。

  公开号：

  US20090280083A1

文献信息

• [EN] N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF<br/>[FR] N-(3-HÉTÉROARYLARYL)-4-ARYLARYLCARBOXAMIDES ET ANALOGUES COMME INHIBITEURS DE LA VOIE HEDGEHOG ET LEUR UTILISATION
  申请人：IMPACT THERAPEUTICS INC

  公开号：WO2014012511A1

  公开（公告）日：2014-01-23

  Disclosed are novel N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs thereof, represented by the Formula I: wherein C cyclic group, D1-D4, Q1, Q2, R5 are defined herein. Compounds having Formula (I) are hedgehog pathway inhibitors. Therefore, compounds of the invention may be used to treat clinical conditions that are responsive to the inhibition of hedgehog activity, such as cancer.

  揭示了一种新颖的N-(3-杂环芳基芳基)-4-芳基芳基羧酰胺及其类似物，表示为公式I：其中C是环状基团，D1-D4，Q1，Q2，R5在此定义。具有公式(I)的化合物是刺猬通路抑制剂。因此，本发明的化合物可用于治疗对刺猬活性抑制敏感的临床病况，如癌症。
• N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof
  申请人：IMPACT Therapeutics, Inc.

  公开号：US20150191460A1

  公开（公告）日：2015-07-09

  Disclosed are novel N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs thereof, represented by the Formula I: wherein C cyclic group, D 1 -D 4 , Q 1 , Q 2 , R 5 are defined herein. Compounds having Formula (I) are hedgehog pathway inhibitors. Therefore, compounds of the invention may be used to treat clinical conditions that are responsive to the inhibition of hedgehog activity, such as cancer.

  揭示了一种新型的N-(3-杂环芳基芳基)-4-芳基芳基羧酰胺及其类似物，其化学式如下：其中C为环状基团，D1-D4，Q1，Q2，R5在此处定义。具有化学式(I)的化合物是刺猬途径抑制剂。因此，本发明的化合物可用于治疗对刺猬活性抑制有响应的临床病况，如癌症。
• Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof
  申请人：IMPACT THERAPEUTICS, INC.

  公开号：US20210128535A1

  公开（公告）日：2021-05-06

  The disclosure relates to substituted fused heteroaromatic tricyclic compounds and the use thereof. Specifically, the disclosure provides compounds of the following Formula I: or a pharmaceutically acceptable salt or prodrug thereof, wherein A 1 -A 3 , B 1 -B 3 , D 1 -D 4 and R 1 -R 2 are defined herein. Compounds having Formula I are ATM kinase inhibitors. Therefore, compounds of the disclosure may be used to treat clinical conditions caused by DDR functional defects, such as cancer.

  本公开涉及替代的融合杂环三环化合物及其用途。具体而言，本公开提供以下式I的化合物：或其药学上可接受的盐或前药，其中A1-A3，B1-B3，D1-D4和R1-R2在此定义。具有式I的化合物为ATM激酶抑制剂。因此，本公开的化合物可用于治疗由DDR功能缺陷引起的临床病症，如癌症。
• N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof
  申请人：IMPACT Therapeutics, Inc.

  公开号：US10676468B2

  公开（公告）日：2020-06-09

  Disclosed are novel N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs thereof, represented by the Formula I: wherein C cyclic group, D1-D4, Q1, Q2, R5 are defined herein. Compounds having Formula (I) are hedgehog pathway inhibitors. Therefore, compounds of the invention may be used to treat clinical conditions that are responsive to the inhibition of hedgehog activity, such as cancer.

  公开了新型 N-(3-异芳基)-4-芳基羧酰胺及其类似物，由式 I 表示：其中 C 环基、D1-D4、Q1、Q2、R5 在此定义。具有式（I）的化合物是刺猬通路抑制剂。因此，本发明的化合物可用于治疗对抑制刺猬活性有反应的临床病症，如癌症。
• N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF
  申请人：Impact Therapeutics, Inc.

  公开号：EP2875005B1

  公开（公告）日：2020-11-11