1,1-Dimethylethyl 4-(4-amino-2-fluorophenyl)-3-methyl-1-piperazinecarboxylate | 866538-99-0

• 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: 1,1-Dimethylethyl 4-(4-amino-2-fluorophenyl)-3-methyl-1-piperazinecarboxylate
• 英文别名: tert-butyl 4-(4-amino-2-fluorophenyl)-3-methylpiperazine-1-carboxylate
• CAS: 866538-99-0
• 化学式: C₁₆H₂₄FN₃O₂
• 分子量: 309.384
• InChiKey: JLULNKVXYANZET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1-Dimethylethyl 4-(4-amino-2-fluorophenyl)-3-methyl-1-piperazinecarboxylate 在 palladium on activated charcoal 正丁基锂 、 sodium azide 、 TEA 、 氢气 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， -78.0~80.0 ℃ 、379.21 kPa 条件下， 反应 1.5h， 生成 4-[4-((S)-5-Aminomethyl-2-oxo-oxazolidin-3-yl)-2-fluoro-phenyl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and SAR of novel oxazolidinones: Discovery of ranbezolid

  摘要：

  Novel oxazolidinones were synthesized containing a number of substituted five-membered heterocycles attached to the 'piperazinyl-phenyl-oxazolidinone' core of eperezolid. Further, the piperazine ring of the core was replaced by other diamino-heterocycles. These modifications led to several compounds with potent activity against a spectrum of resistant and susceptible Gram-positive organisms, along with the identification of ranbezolid (RBx 7644) as a clinical candidate. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.063
• 作为产物：
  描述：

  1-Boc-3-甲基哌嗪 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~80.0 ℃ 、379.21 kPa 条件下， 生成 1,1-Dimethylethyl 4-(4-amino-2-fluorophenyl)-3-methyl-1-piperazinecarboxylate
  参考文献：
  名称：

  Synthesis and SAR of novel oxazolidinones: Discovery of ranbezolid

  摘要：

  Novel oxazolidinones were synthesized containing a number of substituted five-membered heterocycles attached to the 'piperazinyl-phenyl-oxazolidinone' core of eperezolid. Further, the piperazine ring of the core was replaced by other diamino-heterocycles. These modifications led to several compounds with potent activity against a spectrum of resistant and susceptible Gram-positive organisms, along with the identification of ranbezolid (RBx 7644) as a clinical candidate. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.063

文献信息

• [EN] COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS<br/>[FR] COMPOSÉS PERMETTANT DE RÉGULER LES VOIES FAK ET/OU SRC
  申请人：ASANA BIOSCIENCES LLC

  公开号：WO2015038417A1

  公开（公告）日：2015-03-19

  The present application provides novel optionally substituted fused pyridine and pyrimidine bicyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating FAK and/or Src activity by administering a therapeutically effective amount of one or more of the compounds to a subject. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the FAK and/or Src pathway. Advantageously, these compounds perform as dual FAK and/or Src inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新颖的可选择替代的融合吡啶和嘧啶双环化合物及其药用可接受盐。还提供了制备这些化合物的方法。通过向受试者投予一种或多种化合物的治疗有效量，这些化合物在共调节FAK和/或Src活性方面具有用处。通过这样做，这些化合物在治疗与FAK和/或Src途径失调相关的疾病方面具有有效性。这些化合物作为双重FAK和/或Src抑制剂表现出优势。可以使用这些化合物治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一个实施例中，该疾病是癌症。
• N-(3,4-disubstituted phenyl) salicylamide derivatives
  申请人：TOKUYAMA Ryukou

  公开号：US20080227784A1

  公开（公告）日：2008-09-18

  A compound represented by the following formula (I) or a salt thereof: wherein R 1 , R 2 , R 3 and R 4 represent hydrogen atom, a halogen atom, cyano group, nitro group, a C 1-4 alkyl group, a halogenated C 1-4 alkyl group or a C 1-4 alkoxy group, R 5 represents a halogen atom, cyano group, a C 1-4 alkyl group, a halogenated C 1-4 alkyl group or a C 1-4 alkoxy group, R 6 represents a C 5-7 cycloalkyl group, a substituted C 5-7 cycloalkyl group, a 5 to 7-membered completely saturated heterocyclic group or a substituted 5 to 7-membered completely saturated heterocyclic group, X represents a single bond, oxygen atom, sulfur atom, NR 7 , —O—CH 2 — or —N(R 8 )—CH 2 —, R 7 represents hydrogen atom or a C 1-4 alkyl group, or R 7 may combine with a substituent of R 6 to represent a single bond, methylene group or ethylene group, R 8 represents hydrogen atom, a C 1-4 alkyl group or a C 7-12 aralkyl group, which is useful as an active ingredient of a medicament for prophylactic and/or therapeutic treatment of diseases caused by an activation of STAT6 and/or NF-κB.

  由以下式（I）表示的化合物或其盐：其中R1、R2、R3和R4代表氢原子、卤原子、氰基、硝基、C1-4烷基、卤代C1-4烷基或C1-4烷氧基，R5代表卤原子、氰基、C1-4烷基、卤代C1-4烷基或C1-4烷氧基，R6代表C5-7环烷基、取代的C5-7环烷基、5至7-成员完全饱和杂环基或取代的5至7-成员完全饱和杂环基，X代表单键、氧原子、硫原子、NR7、—O—CH2—或—N(R8)—CH2—，R7代表氢原子或C1-4烷基，或R7可以与R6的取代基结合以表示单键、亚甲基基团或乙烯基团，R8代表氢原子、C1-4烷基或C7-12芳基烷基，可用作药物的活性成分，用于预防和/或治疗由STAT6和/或NF-κB激活引起的疾病。
• COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS
  申请人：ASANA BIOSCIENCES, LLC

  公开号：US20160222014A1

  公开（公告）日：2016-08-04

  The present application provides novel optionally substituted fused pyridine and pyrimidine bicyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating FAK and/or Src activity by administering a therapeutically effective amount of one or more of the compounds to a subject. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the FAK and/or Src pathway. Advantageously, these compounds perform as dual FAK and/or Src inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新型的可选取代的融合吡啶和嘧啶双环化合物及其药学上可接受的盐。还提供了制备这些化合物的方法。通过向受试者注射一种或多种化合物的治疗有效量，这些化合物有助于共同调节FAK和/或Src活性。通过这样做，这些化合物对治疗与FAK和/或Src通路失调相关的疾病有效。有利的是，这些化合物作为双重FAK和/或Src抑制剂发挥作用。这些化合物可用于治疗多种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一种实施方式中，疾病是癌症。
• US7671058B2
  申请人：——

  公开号：US7671058B2

  公开（公告）日：2010-03-02
• Synthesis and SAR of novel oxazolidinones: Discovery of ranbezolid
  作者：Biswajit Das、Sonali Rudra、Ajay Yadav、Abhijit Ray、A.V.S. Raja Rao、A.S.S.V. Srinivas、Ajay Soni、Suman Saini、Shalini Shukla、Manisha Pandya、Pragya Bhateja、Sunita Malhotra、Tarun Mathur、S.K. Arora、Ashok Rattan、Anita Mehta

  DOI：10.1016/j.bmcl.2005.06.063

  日期：2005.10

  Novel oxazolidinones were synthesized containing a number of substituted five-membered heterocycles attached to the 'piperazinyl-phenyl-oxazolidinone' core of eperezolid. Further, the piperazine ring of the core was replaced by other diamino-heterocycles. These modifications led to several compounds with potent activity against a spectrum of resistant and susceptible Gram-positive organisms, along with the identification of ranbezolid (RBx 7644) as a clinical candidate. (c) 2005 Elsevier Ltd. All rights reserved.