4-t-butoxycarbonyl-1-(2-fluoro-4-nitro-phenyl)hexahydro-1H-1,4-diazepine | 220220-24-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-t-butoxycarbonyl-1-(2-fluoro-4-nitro-phenyl)hexahydro-1H-1,4-diazepine
• 英文别名: 1-(2-Fluoro-4-nitrophenyl)-4-tert-butoxycarbonyl-homopiperazine；Tert-butyl 4-(2-fluoro-4-nitrophenyl)-1,4-diazepane-1-carboxylate
• CAS: 220220-24-6
• 化学式: C₁₆H₂₂FN₃O₄
• 分子量: 339.367
• InChiKey: HANYXSHORSLGAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 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：
  78.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-t-butoxycarbonyl-1-(2-fluoro-4-nitro-phenyl)hexahydro-1H-1,4-diazepine 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、379.21 kPa 条件下， 生成 1,1-Dimethylethyl 4-(4-amino-2-fluorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylate
  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：

  高哌嗪 在 TEA 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 4-t-butoxycarbonyl-1-(2-fluoro-4-nitro-phenyl)hexahydro-1H-1,4-diazepine
  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

• 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。
• Hexahydro-1,4-diazepine derivatives or salts thereof
  申请人：Yamanouchi Pharmaceutical Co.

  公开号：US06333320B1

  公开（公告）日：2001-12-25

  Hexahydro-1,4-diazepine derivatives represented by general formula (I); pharmaceutically acceptable salts thereof; and drugs containing the same as the active ingredient, such as activated blood coagulation factor X inhibitor, wherein A: phenylene, pyridylene, or the like; B: a 5- or 6-membered aryl or heteroaryl ring; X: —CO—, —CONH—, —CSNH—, —SO2—, —SO2NH—, or the like; Y: a bond or alkylene; R1: hydrogen, alkyl, —Y—(hetero) aryl, or the like; R2: hydrogen, alkoxy, —COOH, or the like; R3: amidino or a group capable of being converted into amidino; and R4, R5: each independently hydrogen or lower alkyl.

  一般式（I）所代表的六氢-1,4-二氮杂环衍生物；其药学上可接受的盐；以及包含其作为活性成分的药物，例如激活的血凝血因子X抑制剂，其中A：苯撑基，吡啶撑基或类似物；B：5-或6-成员芳基或杂芳基环；X：-CO-，-CONH-，-CSNH-，-SO2-，-SO2NH-或类似物；Y：键或烷基；R1：氢，烷基，-Y-（杂）芳基或类似物；R2：氢，烷氧基，-COOH或类似物；R3：酰胺基或可转化为酰胺基的基团；以及R4，R5：各自独立地为氢或低级烷基。
• Oxazolidinone derivatives as potential antimicrobials
  申请人：——

  公开号：US20030119817A1

  公开（公告）日：2003-06-26

  The present invention relates to certain substituted phenyl oxazolidinones and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiply-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacterioides spp. and Clostridia spp. species, and acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些取代苯基噁唑烷酮以及其合成过程。本发明还涉及含有本发明化合物作为抗微生物药物的药物组合物。这些化合物是有用的抗微生物剂，对许多人类和兽医病原体具有有效作用，包括革兰氏阳性厌氧细菌，如多重耐药葡萄球菌，链球菌和肠球菌，以及厌氧微生物，如拟杆菌属和梭菌属物种，以及耐酸微生物，如结核分枝杆菌，分枝杆菌和分枝杆菌属。
• Oxazolidinone piperazinyl derivatives as potential antimicrobials
  申请人：Mehta Anita

  公开号：US06956040B2

  公开（公告）日：2005-10-18

  The present invention relates to certain substituted phenyl piperazinyl oxazolidinones, for example, to those having the structure of Formula I with the variables as defined within, and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiply-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacterioides spp. and Clostridia spp. species, and acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些替代苯基哌嗪氧氮杂环酮，例如具有公式I结构的化合物，其中变量的定义如下，并涉及其合成方法。本发明还涉及含有本发明化合物作为抗微生物药物的制药组合物。这些化合物是有用的抗微生物剂，对许多人类和兽医病原体有效，包括革兰氏阳性的厌氧菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧菌如Bacterioidesspp.和Clostridiaspp.物种，以及酸性快速生长菌，如结核分枝杆菌、埃及分枝杆菌和分枝杆菌属。
• Oxazolidinone derivatives as antimicrobials disease
  申请人：——

  公开号：US20020103186A1

  公开（公告）日：2002-08-01

  The present invention relates to certain substituted phenyl oxazolidinones and to processes for the synthesis of the same. This invention also relates to pharmaceutical compositions containing the compounds of the present invention as antimicrobials. The compounds are useful antimicrobial agents, effec number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiply-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacterioides spp. and Clostridia spp. species, and acid fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  本发明涉及某些取代苯基噁唑烷酮及其合成过程。本发明还涉及含有本发明化合物作为抗微生物药物的制药组合物。这些化合物是有用的抗微生物剂，可有效对抗多种人类和兽医病原体，包括革兰氏阳性厌氧菌如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧菌如Bacterioides spp.和Clostridia spp.种，和酸性快速生长菌如结核分枝杆菌、非结核分枝杆菌和分枝杆菌属。