4-(乙酰氨基)-1-苄基-4-苯基哌啶 | 172733-78-7

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(乙酰氨基)-1-苄基-4-苯基哌啶
• 中文别名: N-(1-苄基-4-苯基哌啶-4-基)乙酰胺
• 英文名称: N-(1-benzyl-4-phenylpiperidin-4-yl)acetamide
• CAS: 172733-78-7
• 化学式: C₂₀H₂₄N₂O
• 分子量: 308.423
• InChiKey: JZIHXLNGPVLLDT-UHFFFAOYSA-N

物化性质

• 沸点：
  491.6±45.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-(乙酰氨基)-1-苄基-4-苯基哌啶 在 sodium hydride 、 碘甲烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 4-(Acetyl-N-methylamino)-1-benzyl-4-phenylpiperidine
  参考文献：
  名称：

  Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists

  摘要：

  A novel series of cyclohexanamine derivatives was designed and synthesized as potent and selective human neuropeptide Y Y1 receptor antagonists. Modification of high-throughput screening hit compound 1 resulted in the identification of compound 3i, which displays potent Y1 activity and good selectivity towards hERG K(+) channel and serotonin transporter. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.050
• 作为产物：
  描述：

  4-哌啶酮 在 硫酸 、 potassium carbonate 、 magnesium 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 20.17h， 生成 4-(乙酰氨基)-1-苄基-4-苯基哌啶
  参考文献：
  名称：

  Structure-guided design and synthesis of P1′ position 1-phenylcycloalkylamine-derived pentapeptidic BACE1 inhibitors

  摘要：

  Previously, we reported potent pentapeptidic BACE1 inhibitors with the hydroxymethylcarbonyl isostere as a substrate transition-state mimic. To improve the in vitro potency, we further reported pentapeptidic inhibitors with carboxylic acid bioisosteres at the P-4 and P-1' positions. In the current study, we screened new P-1' position 1-phenylcycloalkylamine analogs to find non-acidic inhibitors that possess double-digit nanomolar range IC50 values. An extensive structure-activity relationship study was performed with various amine derivatives at the P-1' position. The most potent inhibitor of this pentapeptide series, KMI-1830, possessing 1-phenylcyclopentylamine at the P-1' position had an IC50 value of 11.6 nM against BACE1 in vitro enzymatic assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.002

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR INHIBER L'ACTIVITÉ DE SHP2
  申请人：NOVARTIS AG

  公开号：WO2016203405A1

  公开（公告）日：2016-12-22

  The present invention relates to compounds of formula I. The compounds are inhibitors of the Src Homolgy-2 phosphatase (SHP2) and thus useful in the treatment of Noonan Syndrome, Leopard Syndrome and cancer.

  本发明涉及式I的化合物。这些化合物是Src同源-2磷酸酶（SHP2）的抑制剂，因此在努南综合征、豹纹综合征和癌症的治疗中有用。
• 1-(TRIAZIN-3-YL/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREFOR FOR INHIBITING THE ACTIVITY OF SHP2
  申请人：CHEN Zhuoliang

  公开号：US20170001975A1

  公开（公告）日：2017-01-05

  The present invention relates to compounds of formula I: in which Y 1 , Y 2 , Y 3 , R 1 , R 2a , R 2b , R 3a , R 3b , R 4a , R 4b , R 5a , R 5b are defined in the Summary of the Invention; capable of inhibiting the activity of SHP2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of diseases or disorders associated with the aberrant activity of SHP2.

  本发明涉及以下式I的化合物： 其中Y1、Y2、Y3、R1、R2a、R2b、R3a、R3b、R4a、R4b、R5a、R5b在发明摘要中有定义；能够抑制SHP2活性。本发明还提供了一种制备该类化合物的方法，包括含有这类化合物的药物制剂以及在管理与SHP2异常活性相关的疾病或疾病的方法中使用这类化合物和组合物。
• [EN] 1 -(TRIAZIN-3-YI_/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] DÉRIVÉS DE 1-(TRIAZIN-3-YL/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE ET COMPOSITIONS LES CONTENANT POUR L'INHIBITION DE L'ACTIVITÉ DE SHP2
  申请人：NOVARTIS AG

  公开号：WO2015107494A1

  公开（公告）日：2015-07-23

  The present invention relates to compounds of formula I: in which Y1, Y2, Y3, R1, R2a, R2b, R3a, R3b, R4a, R4b, R5a, R5b are defined in the Summary of the Invention; capable of inhibiting the activity of SHP2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of diseases or disorders associated with the aberrant activity of SHP2.

  本发明涉及以下式I的化合物：其中Y1、Y2、Y3、R1、R2a、R2b、R3a、R3b、R4a、R4b、R5a、R5b在本发明摘要中有定义；能够抑制SHP2活性。本发明还提供了一种制备本发明化合物的方法，包括含有这种化合物的药物制剂，以及在管理与SHP2异常活性相关的疾病或紊乱的方法中使用这种化合物和组合物。
• Substituted heterocyclic compounds method of preparing them and
  申请人：Sanofi

  公开号：US05780466A1

  公开（公告）日：1998-07-14

  The invention relates to compounds of the formula ##STR1## in which: A is a divalent radical selected from: A.sub.1) --O--CO-- A.sub.2) --CH.sub.2 --O--CO-- A.sub.3) --O--CH.sub.2 --CO-- A.sub.4) --O--CH.sub.2 --CH.sub.2 -- A.sub.5) --N(R.sub.1)--CO-- A.sub.6) --N(R.sub.1)--CO--CO-- A.sub.7) --N(R.sub.1)--CH.sub.2 --CH.sub.2 -- A.sub.8) --O--CH.sub.2 -- in which: R.sub.1 is a hydrogen or a (C.sub.1 -C.sub.4)-alkyl; and Am is a nitrogen-containing heterocycle.

  本发明涉及具有通式##STR1##的化合物，其中：A是选自以下二价基团：A.sub.1) --O--CO-- A.sub.2) --CH.sub.2 --O--CO-- A.sub.3) --O--CH.sub.2 --CO-- A.sub.4) --O--CH.sub.2 --CH.sub.2 -- A.sub.5) --N(R.sub.1)--CO-- A.sub.6) --N(R.sub.1)--CO--CO-- A.sub.7) --N(R.sub.1)--CH.sub.2 --CH.sub.2 -- A.sub.8) --O--CH.sub.2 -- 其中：R.sub.1 是氢或(C.sub.1 -C.sub.4)-烷基；且Am是含氮杂环。
• Method for preparing 4-methylamino-4-phenylpiperidine
  申请人：——

  公开号：US20040181071A1

  公开（公告）日：2004-09-16

  The invention relates to a process for preparing a 4-alkoxycarbonylamino-1-benzyl-4-phenylpiperidine of formula (I) 1 via hydrolysis of 1-benzyl-4-cyano-4-phenylpiperidine (II) in acidic medium and treatment of the 1-benzyl-4-phenyl-4-piperidinecarboxamide (III) thus obtained with bromine in the presence of an alkali metal alkoxide. The invention also relates to a process for preparing 4-methylamino-4-phenylpiperidine from compound (II).

  该发明涉及一种制备4-烷氧羰基氨基-1-苄基-4-苯基哌啶的方法，通过在酸性介质中水解1-苄基-4-氰基-4-苯基哌啶（II），并将得到的1-苄基-4-苯基-4-哌啶羧酰胺（III）与溴在碱金属碱中存在的条件下处理。该发明还涉及一种从化合物（II）制备4-甲氨基-4-苯基哌啶的方法。