3-氨基-1-(1-哌嗪基)-1-丙酮 | 691394-08-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 3-氨基-1-(1-哌嗪基)-1-丙酮
• 英文名称: 3-Amino-1-piperazin-1-yl-propan-1-one
• 英文别名: 3-amino-1-piperazin-1-ylpropan-1-one
• CAS: 691394-08-8
• 化学式: C₇H₁₅N₃O
• mdl: MFCD04116546
• 分子量: 157.216
• InChiKey: KIPRVSOTALWIDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  N-(4-fluoro-3-nitrophenyl)-N-methylcyclohexanecarboxamide 、 3-氨基-1-(1-哌嗪基)-1-丙酮 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Discovery, SAR and X-ray structure of 1H-benzimidazole-5-carboxylic acid cyclohexyl-methyl-amides as inhibitors of inducible T-cell kinase (Itk)

  摘要：

  A series of novel potent benzimidazole based inhibitors of interleukin-2 T-cell kinase (Itk) were prepared. In this report, we discuss the structure-activity relationship (SAR), selectivity, and cell-based activity for the series. We also discuss the SAR associated with an X-ray structure of one of the small-molecule inhibitors bound to ITK. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.015

文献信息

• METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES
  申请人：Sumino Yukihito

  公开号：US20120022251A1

  公开（公告）日：2012-01-26

  The present invention provides a pyrone derivative and a pyridone derivative, which are novel intermediates for synthesizing an anti-influenza drug, a method of producing the same, and a method of using the same.

  本发明提供了一种吡喃衍生物和一种吡啶酮衍生物，它们是合成抗流感药物的新型中间体，以及其制备方法和使用方法。
• [EN] METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS<br/>[FR] MÉTHODES DE RETARDEMENT, DE PRÉVENTION ET DE TRAITEMENT DE LA RÉSISTANCE ACQUISE AUX INHIBITEURS DE RAS
  申请人：REVOLUTION MEDICINES INC

  公开号：WO2021257736A1

  公开（公告）日：2021-12-23

  The present disclosure relates to compositions and methods for the treatment of diseases or disorders (e.g., cancer) with bi-steric inhibitors of mTOR in combination with RAS inhibitors. Specifically, in some embodiments this disclosure includes compositions and methods for inducing apoptosis of tumor cells and/or for delaying, preventing, or treating acquired resistance to RAS inhibitors using bi-steric mTOR inhibitors.

  本公开涉及使用双-立体异构体mTOR抑制剂与RAS抑制剂联合治疗疾病或病状（例如，癌症）的配方和方法。具体而言，在某些实施方式中，本公开包括用于诱导肿瘤细胞凋亡和/或用于延迟、预防或治疗对RAS抑制剂获得性耐药性的双-立体异构体mTOR抑制剂的配方和方法。
• [EN] IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES D'IMIDAZOPYRIDINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：GLAXO GROUP LTD

  公开号：WO2003080610A1

  公开（公告）日：2003-10-02

  A compound of the formula: (I) and-physiologically acceptable salts and or N-oxides thereof wherein, X1 is N or CR.3; X2 is N or CR'4; X3 ,is..N or CR5; X4 is N or CR6 with the proviso that at least one but not more than two of X1, X 2, X,3. and X4 represents N. R1 is a 5-, or 6-membered heterocyclic group selected from group a, b, c or d formula: (II) wherein X5 is a group selected from N or CR7: and X6, is a group selected from O, S or NR8; X7 and X8; which maybe the same or, different is a group selected from N or CR9; ; X9, is a group selected from O, S or NR8 and X10 is N or CR10 ; X11 , X12 and X13 may be the same or different and selected from a group N or CR11 ; processes for their preparation, pharmaceutical compositions containing them and their use in medicine.

  化合物的式子为：（I），其生理上可接受的盐和/或N-氧化物，其中，X1为N或CR.3；X2为N或CR'4；X3为N或CR5；X4为N或CR6，但至少其中一个但不超过两个X1、X2、X3和X4代表N。R1是从a、b、c或d组中选择的5-或6-成员杂环基，式子为：（II），其中X5是从N或CR7选择的基团；X6是从O、S或NR8选择的基团；X7和X8可以相同或不同，是从N或CR9选择的基团；X9是从O、S或NR8选择的基团，X10是N或CR10；X11、X12和X13可以相同或不同，是从N或CR11的基团中选择的；制备它们的过程，包含它们的制药组合物以及它们在医学上的用途。
• Imidazopyridine derivatives as kinase inhibitors
  申请人：Bailey Nicholas

  公开号：US20050197328A1

  公开（公告）日：2005-09-08

  A compound of the formula and physiologically acceptable salts and or N-oxides thereof wherein, X 1 is N or CR 3 ; X 2 is N or CR 4 ; X 3 is N or CR 5 ; X 4 is N or CR 6 . with the proviso that at least one but not more than two of X 1 , X 2 , X 3 and X 4 represents N. R 1 is a 5-, or 6-membered heterocyclic group selected from group a, b, c or d wherein X 5 is a group selected from N or CR 7 and X 6 is a group selected from O, S or NR 8; X 7 and X 8 which may be the same or different is a group selected from N or CR 9; X 9 is a group selected from O, S or NR 8 and X 10 is N or CR 10; X 11 , X 12 and X 13 may be the same or different and selected from a group N or CR 11 ; processes for their preparation, pharmaceutical compositions containing them and their use in medicine.

  式中化合物及其生理上可接受的盐和/或N-氧化物，其中： X1为N或CR3； X2为N或CR4； X3为N或CR5； X4为N或CR6； 但须满足X1、X2、X3和X4中至少一个但不超过两个为N； R1为从a、b、c或d组中选择的5-或6-成员杂环基，其中X5为N或CR7组，X6为O、S或NR8组； X7和X8可以相同或不同，为N或CR9组； X9为O、S或NR8组，X10为N或CR10组； X11、X12和X13可以相同或不同，为N或CR11组； 本发明还涉及其制备方法、包含它们的制药组合物以及它们在医学上的应用。
• METHOD OF PRODUCING PYRIDONE DERIVATIVES
  申请人：Shionogi & Co., Ltd

  公开号：EP3109235A1

  公开（公告）日：2016-12-28

  Process to make pyridone derivatives.

  制造吡啶酮衍生物的工艺。