1-(4-硝基苯基)-[1,4]二氮杂烷 | 214124-83-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-硝基苯基)-[1,4]二氮杂烷
• 中文别名: 1-(4-硝基苯基)高哌嗪
• 英文名称: 1-(4-nitrophenyl)-[1,4]diazepane
• 英文别名: hexahydro-4-(4-nitrophenyl)-1H-1,4-diazepine；1-(4-Nitrophenyl)-1,4-diazepane
• CAS: 214124-83-1
• 化学式: C₁₁H₁₅N₃O₂
• mdl: MFCD00448001
• 分子量: 221.259
• InChiKey: LIQIZDGKPDHEPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-硝基苯基)-[1,4]二氮杂烷 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 生成 4-([1,4]diazepan-1-yl)phenylamine
  参考文献：
  名称：

  1-(2-Naphthyl)-1 H -pyrazole-5-carboxylamides as potent factor Xa inhibitors. Part 2: A survey of P4 motifs

  摘要：

  A variety of P4 motifs have been examined to increase the binding affinity and in vitro anticoagulant potency of our biphenyl 1-(2-naphthyl)-1H-pyrazole-5-carboxylamide-based fXa inhibitors. Highly potent 2-naphthyl-P1 fxa inhibitors (K-i less than or equal to 2 nM) with improved in vitro anticoagulant activity (2 x TG less than or equal to 1 muM) and respectable pharmacokinetic properties have been discovered. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.053
• 作为产物：
  描述：

  1,4-二氮杂环庚烷-1-甲酸叔丁酯 在 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 13.0h， 生成 1-(4-硝基苯基)-[1,4]二氮杂烷
  参考文献：
  名称：

  MACROCYCLIC COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATIONS THEREOF

  摘要：

  本发明揭示了一种作为Weel抑制剂的大环化合物，以及在制备用于治疗与Weel相关疾病的药物中的应用。本发明具体涉及一种由式（II）表示的化合物，其异构体和其药用可接受的盐。

  公开号：

  US20200325145A1

文献信息

• 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS
  申请人：Payne Lloyd James

  公开号：US20110009390A1

  公开（公告）日：2011-01-13

  The invention provides compounds of formula (I), and pharmaceutically and agriculturally acceptable salts thereof: wherein: R1, R2, R3, R4, R5, R6, R7, R8, A1, L1 and n are as defined herein. These compounds and their pharmaceutically acceptable salts are useful in the manufacture of medicaments for use in the prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  该发明提供了式(I)的化合物，以及其在药学和农业上可接受的盐：其中：R1、R2、R3、R4、R5、R6、R7、R8、A1、L1和n如本文所定义。这些化合物及其药学上可接受的盐在制造用于预防或治疗真菌病的药物方面是有用的。式(I)的化合物及其在农业上可接受的盐也可用作农业杀菌剂。
• Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US06335445B1

  公开（公告）日：2002-01-01

  A compound selected from the group consisting of a compound of the formula wherein A is selected from the group consisting of and the other substituents are defined in the specification having an inhibitory activity of NO-synthase enzymes producing nitrogen mono-oxide and/or an activity which traps the reactive oxygen species.

  从以下化合物组中选择的一种化合物，其化学式为 其中A是从以下组中选择的 其他取代基在规范中定义，具有抑制NO合酶产生一氧化氮的活性和/或捕获活性氧化物种的活性。
• [EN] PYRROLE ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES À BASE DE PYRROLE
  申请人：F2G LTD

  公开号：WO2009130481A1

  公开（公告）日：2009-10-29

  The invention provides compounds of formula (I), and pharmaceutically and agriculturally acceptable salts thereof; wherein: R1, R2, R3, R4, R5, R6, A1, L1 and n are as defined herein. These compounds and their pharmaceutically acceptable salts are useful in prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  该发明提供了式(I)的化合物，以及其在药学和农业上可接受的盐；其中：R1、R2、R3、R4、R5、R6、A1、L1和n如本文所定义。这些化合物及其药学上可接受的盐在预防或治疗真菌病方面是有用的。式(I)的化合物及其农业上可接受的盐也可用作农业杀菌剂。
• THIENOPYRIDINE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1764367A1

  公开（公告）日：2007-03-21

  The present invention provides a compound promoting osteogenesis. The present invention provides a compound having the following general formula (I) wherein R1 is H or alkyl, R2 is RaS-, RaO-, RaNH-, Ra(Rb)N- or cyclic amino, and Ra and Rb are alkyl which may be substituted, cycloalkyl which may be substituted, or the like, or a pharmacologically acceptable salt thereof.

  本发明提供一种促进成骨的化合物。本发明提供具有以下一般式（I）的化合物 其中R1为H或烷基， R2为RaS-、RaO-、RaNH-、Ra(Rb)N-或环状氨基，且 Ra和Rb为可以被取代的烷基、可以被取代的环烷基等，或其药理学上可接受的盐。
• New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：——

  公开号：US20030078420A1

  公开（公告）日：2003-04-24

  The invention relates to new derivatives of 2-(iminomethyl)amino-phenyl which are NO synthase inhibitors and can trap reactive oxygen species. These compounds can notably be used for the treatment of stroke, of neurodegenerative diseases and of ischemic or hemorragic cardiac or cerebral infarctions. These compounds include: N-{4-[({[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl}amino)methyl]phenyl}thiophene-2-carboximidamide; N-{3-[({[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl}amino)methyl]phenyl}thiophene-2-carboximidamide; N-(4-{[{[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl}(methyl)amino]methyl}phenyl)thiophene-2-carboximidamide; N-[3-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-(3-{[(3,5-di-tert-butyl-4-hydroxybenzyl)amino]methyl}phenyl) thiophene-2-carboximidamide; N-[3-({[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-[3-({[3-(4-hydroxy-3,5-diisopropylphenyl)propyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-(3-{[(4-hydroxy-3,5-diisopropylbenzyl)amino]methyl}phenyl) thiophene-2-carboximidamide; N-[3-({[2-(4-hydroxy-3,5-diisopropylphenyl)ethyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-2-(3,5-di-tert-butyl-4-hydroxybenzoyl)-N-1-(4-{[imino(thien-2-yl)methyl]amino}phenyl)-L-leucinamide; and pharmaceutically acceptable salts thereof.

  这项发明涉及新的2-(亚甲基亚胺)氨基苯基衍生物，它们是一氧化氮合酶抑制剂，可以捕获活性氧物质。这些化合物可以显著用于中风、神经退行性疾病、缺血性或出血性心脏或脑梗死的治疗。 这些化合物包括： N-4-[(4-(3,5-二叔丁基-4-羟基苯基)-1,3-噻唑-2-基}甲基)氨基]苯基}噻吩-2-甲酰亚胺； N-3-[(4-(3,5-二叔丁基-4-羟基苯基)-1,3-噻唑-2-基}甲基)氨基]苯基}噻吩-2-甲酰亚胺； N-(4-[4-(3,5-二叔丁基-4-羟基苯基)-1,3-噻唑-2-基}甲基(甲基)氨基]甲基}苯基)噻吩-2-甲酰亚胺； N-[3-([3-(3,5-二叔丁基-4-羟基苯基)丙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-(3-[(3,5-二叔丁基-4-羟基苯基)甲基]氨基}苯基)噻吩-2-甲酰亚胺； N-[3-([2-(3,5-二叔丁基-4-羟基苯基)乙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-[3-([3-(4-羟基-3,5-二异丙基苯基)丙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-(3-[(4-羟基-3,5-二异丙基苯基)甲基]氨基}苯基)噻吩-2-甲酰亚胺； N-[3-([2-(4-羟基-3,5-二异丙基苯基)乙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-2-(3,5-二叔丁基-4-羟基苯甲酰)-N-1-4-[imino(噻唑-2-基)甲基]氨基}苯基-L-亮氨酰； 及其药学上可接受的盐。