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4-乙酰氨基-3-硝基吡啶 | 79371-42-9

中文名称
4-乙酰氨基-3-硝基吡啶
中文别名
——
英文名称
4-acetamido-3-nitropyridine
英文别名
N-(3-nitropyridin-4-yl)acetamide
4-乙酰氨基-3-硝基吡啶化学式
CAS
79371-42-9
化学式
C7H7N3O3
mdl
MFCD00955974
分子量
181.151
InChiKey
YXAMTQAVAJACLQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.4
  • 重原子数:
    13
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.142
  • 拓扑面积:
    87.8
  • 氢给体数:
    1
  • 氢受体数:
    4

安全信息

  • 安全说明:
    S24/25,S36/37
  • 危险类别码:
    R20/21/22
  • 海关编码:
    29333990

SDS

SDS:91da6bb4308b2500db8b900428e493fa
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-乙酰氨基-3-硝基吡啶 在 palladium on activated charcoal 盐酸氢气 作用下, 以 甲醇 为溶剂, 20.0~70.0 ℃ 、700.0 kPa 条件下, 反应 25.0h, 生成 3,4-二氨基吡啶
    参考文献:
    名称:
    通过4-酰基氨基吡啶的硝化合成3,4-二氨基吡啶和咪唑并[4,5- c ]吡啶
    摘要:
    探索了基于4-酰基氨基吡啶3a,3b直接硝化制备3,4-二氨基吡啶(5)和咪唑并[4,5- c ]吡啶7a,7b的新方法。
    DOI:
    10.1002/jhet.5570360505
  • 作为产物:
    描述:
    4-乙酰氨基嘧啶五氧化二氮 作用下, 以 硝基甲烷 为溶剂, 反应 0.17h, 以72%的产率得到4-乙酰氨基-3-硝基吡啶
    参考文献:
    名称:
    通过4-酰基氨基吡啶的硝化合成3,4-二氨基吡啶和咪唑并[4,5- c ]吡啶
    摘要:
    探索了基于4-酰基氨基吡啶3a,3b直接硝化制备3,4-二氨基吡啶(5)和咪唑并[4,5- c ]吡啶7a,7b的新方法。
    DOI:
    10.1002/jhet.5570360505
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文献信息

  • [EN] SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE<br/>[FR] DÉRIVÉS SUBSTITUÉS DE MONO- ET POLYAZANAPHTHALÈNE ET LEUR UTILISATION
    申请人:BASILEA PHARMACEUTICA AG
    公开号:WO2016128465A1
    公开(公告)日:2016-08-18
    Disclosed are compounds of formula (I) wherein A is CH or N, B is CR or N; and D is CR; R represents hydrogen, OH or NH2; R1 and R2, independently of each other, represent hydrogen, N(R3)2, halogen, cyano, nitro, R4-C1-C4alkyl, R4-C1-C4halogenoalkyl, OH, R4-C1-C4alkoxy, R4-C1-C4halogenoalkoxy, SH, R4-C1-C4alkythio, R4-C1-C4halogenoalkylthio; R3 represents, independently at each occurrence, hydrogen, R4-C1-C4alkyl or R4-C1-C4halogenoalkyl; R3a represents, independently at each occurrence, hydrogen or C1-C4 alkyl; R4 represents, independently at each occurrence, hydrogen, halogen, cyano, OH, SH, NH2, NH(CH3) or N(CH3)2; X represents a group of formula –E- or –E-F-, wherein E and F are different from each other and represent a group selected from –C(R3a)2-, -(C=O)-, -NR3a- and -O- and F is linked to Y, with the proviso that if X represents –E-F- one of E or F represents –C(R3a)2- or -(C=O)-; Y represents a group selected from C1-C6alkyl, mono- or bicyclic C3-C11cycloalkyl, which may be partially unsaturated, mono- or bicyclic 3 to 11-membered heterocycloalkyl, which may be partially unsaturated, a mono- or bicyclic group comprising at least one aryl or heteroaryl cycle, wherein said heterocycloalkyl group and said group comprising at least one heteroaryl cycle comprise one or more heteroatoms selected from nitrogen, oxygen and sulfur and said group Y is either unsubstituted or substituted by one or more substituents and comprises including its substituents one or more than one nitrogen atom having a lone electron pair; and Z represents a mono- or bicyclic group comprising at least one aryl or heteroaryl cycle, said heteroaryl cycle comprising one or more heteroatoms selected from nitrogen, oxygen and sulfur, which aryl or heteroaryl group is unsubstituted or substituted by one or more substituents; including tautomers of said compounds, mixtures of two tautomeric forms of said compounds, and pharmaceutically acceptable salts of said compounds, tautomers thereof or mixtures of two tautomeric forms thereof, preferably with the proviso that Y comprises one or more primary amino group -NH2, when X represents -(C=O)- or –(C=O)-NR3a-, wherein R3a represents hydrogen or C1-C4alkyl; which are useful for the treatment of proliferation disorders or diseases, such as cancer.
    公开的是以下式(I)的化合物,其中A为CH或N,B为CR或N;D为CR;R代表氢、OH或NH2;R1和R2彼此独立地代表氢、N(R3)2、卤素、氰基、硝基、R4-C1-C4烷基、R4-C1-C4卤代烷基、OH、R4-C1-C4烷氧基、R4-C1-C4卤代烷氧基、SH、R4-C1-C4硫代烷基、R4-C1-C4卤代硫代烷基;R3在每次出现时独立地代表氢、R4-C1-C4烷基或R4-C1-C4卤代烷基;R3a在每次出现时独立地代表氢或C1-C4烷基;R4在每次出现时独立地代表氢、卤素、氰基、OH、SH、NH2、NH(CH3)或N(CH3)2;X代表式-E-或-E-F-的基团,其中E和F彼此不同且代表从-C(R3a)2-、-(C=O)-、-NR3a-和-O中选择的基团,F与Y连接,但如果X代表-E-F-,则E或F中的一个代表-C(R3a)2-或-(C=O)-;Y代表从C1-C6烷基、单环或双环C3-C11环烷基(可能部分不饱和)、单环或双环3至11成员杂环烷基(可能部分不饱和)、包含至少一个芳基或杂芳基环的单环或双环基团,其中所述杂环烷基基团和包含至少一个杂芳基环的基团包含从氮、氧和硫中选择的一个或多个杂原子,所述基团Y未取代或被一个或多个取代基取代,包括其取代基中的一个或多个具有孤对电子的氮原子;Z代表包含至少一个芳基或杂芳基环的单环或双环基团,所述杂芳基环包含从氮、氧和硫中选择的一个或多个杂原子,该芳基或杂芳基基团未取代或被一个或多个取代基取代;包括所述化合物的互变异构体、所述化合物的两种互变异构体形式的混合物,以及所述化合物、其互变异构体或其两种互变异构体形式的药学上可接受的盐,其中Y包括一个或多个一级氨基-NH2,当X代表-(C=O)-或-(C=O)-NR3a-时,其中R3a代表氢或C1-C4烷基;这些化合物对于治疗增殖性疾病或疾病,如癌症,是有用的。
  • Aminopyridine compounds
    申请人:THE GREEN CROSS CORPORATION
    公开号:EP0503627A1
    公开(公告)日:1992-09-16
    An aminopyridine compound represented by the formula: wherein n represents 0 or 1; Z represents =S, =O, =NCN or =CHNO₂; R₁ represents -CN, -NR₃R₄, -CONR₃R₄, -NHNR₃R₄, -NHCONHR₃, -NHSO₂R₃ or -SR₃; R₂ represents H, or substituted or unsubstituted alkyl; R₃ and R₄, which may be the same or different, represent H, substituted or unsubstituted alkyl, aryl, substituted or unsubstituted acyl or alkoxycarbonyl group; and R₃ and R₄ may form a heterocyclic ring together with a nitrogen atom to which R₃ and R₄ are bound, through another heteroatom or without it; or an acid salt thereof, which is excellent in pharmacological effect and repressed in side effects as a drug for circulatory diseases.
    一种由式表示的氨基吡啶化合物: 其中 n 代表 0 或 1;Z 代表 =S、=O、=NCN 或 =CHNO₂;R₁ 代表 -CN、-NR₃R₄、-CONR₃R₄、-NHNR₃R₄、-NHCONHR₃、-NHSO₂R₃ 或 -SR₃; R₂ 代表 H、取代或未取代的烷基; R₃ 和 R₄ 可以相同或不同,代表 H、取代或未取代的烷基、芳基、取代或未取代的酰基或烷氧基羰基; R₃ 和 R₄ 可以通过另一个杂原子或不通过另一个杂原子与 R₃ 和 R₄ 所结合的氮原子一起形成一个杂环;或其酸盐,作为治疗循环系统疾病的药物,药理作用优异,副作用小。
  • Formulating a new basis for the treatment against botulinum neurotoxin intoxication: 3,4-Diaminopyridine prodrug design and characterization
    作者:Joseph S. Zakhari、Isao Kinoyama、Mark S. Hixon、Antonia Di Mola、Daniel Globisch、Kim D. Janda
    DOI:10.1016/j.bmc.2011.09.019
    日期:2011.11
    Botulism is a disease characterized by neuromuscular paralysis and is produced from botulinum neurotoxins (BoNTs) found within the Gram positive bacterium Clostridium botulinum. This bacteria produces the most deadliest toxin known, with lethal doses as low as 1 ng/kg. Due to the relative ease of production and transport, the use of these agents as potential bioterrorist weapons has become of utmost concern. No small molecule therapies against BoNT intoxication have been approved to date. However, 3,4-diaminopyridine (3,4-DAP), a potent reversible inhibitor of voltage-gated potassium channels, is an effective cholinergic agonist used in the treatment of neuromuscular degenerative disorders that require cholinergic enhancement. 3,4-DAP has also been shown to facilitate recovery of neuromuscular action potential post botulinum intoxication by blocking K(+) channels. Unfortunately, 3,4-DAP displays toxicity largely due to blood-brain-barrier (BBB) penetration. As a dual-action prodrug approach to cholinergic enhancement we have designed carbamate and amide conjugates of 3,4-DAP. The carbamate prodrug is intended to be a slowly reversible inhibitor of acetylcholinesterase (AChE) along the lines of the stigmines thereby allowing increased persistence of released acetylcholine within the synaptic cleft. As a secondary activity, cleavage of the carbamate prodrug by AChE will afford the localized release of 3,4-DAP, which in turn, will enhance the pre-synaptic release of additional acetylcholine. Being a competitive inhibitor with respect to acetylcholine, the activity of the prodrug will be greatest at the synaptic junctions most depleted of acetylcholine. Here we report upon the synthesis and biochemical characterization of three new classes of prodrugs intended to limit previously reported stability and toxicity issues. Of the prodrugs examined, compound 32, demonstrated the most clinically relevant half-life of 2.76 h, while selectively inhibiting AChE over butyrylcholinesterase-a plasma-based high activity esterase. Future in vivo studies could provide validation of prodrug 32 as a potential treatment against BoNT intoxication as well as other neuromuscular disorders. (C) 2011 Elsevier Ltd. All rights reserved.
  • Rasala, D., Bulletin de la Societe Chimique de France, 1992, # 1, p. 79 - 84
    作者:Rasala, D.
    DOI:——
    日期:——
  • Takahashi; Ueda, Pharmaceutical Bulletin, 1954, vol. 2, p. 34,36
    作者:Takahashi、Ueda
    DOI:——
    日期:——
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