3-硝基苯脒酸肼 | 60666-23-1

• 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: 3-硝基苯脒酸肼
• 英文名称: 3-nitrobenzenecarboximidohydrazide
• 英文别名: 3-nitrobenzimidic acid hydrazide；3-nitro benzimidic acid hydrazide；N'-amino-3-nitrobenzenecarboximidamide
• CAS: 60666-23-1
• 化学式: C₇H₈N₄O₂
• mdl: MFCD00158692
• 分子量: 180.166
• InChiKey: WRELWPPFMNBQOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  3-硝基苯脒酸肼 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 80.0h， 生成 5,6,7,8-tetrahydro-5,9,9-trimethyl-3-(3-nitrophenyl)-5,8-methano-1,2,4-benzotriazine 1-oxide
  参考文献：
  名称：

  Repic, Oljan; Mattner, P. G.; Shapiro, M. J., Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 1201 - 1204

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 3-nitrobenzenecarboximidate 在 一水合肼 作用下， 以 异丙醇 为溶剂， 反应 7.0h， 以93%的产率得到3-硝基苯脒酸肼
  参考文献：
  名称：

  Repic, Oljan; Mattner, P. G.; Shapiro, M. J., Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 1201 - 1204

  摘要：

  DOI：

文献信息

• Novel heteroaryl substituted piperidine derivatives which are L-CPT1 inhibitors
  申请人：Ackermann Jean

  公开号：US20070129544A1

  公开（公告）日：2007-06-07

  The invention is concerned with novel substituted piperidine derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and X are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit L-CPT1 and can be used as medicaments.

  这项发明涉及式(I)的新型替代哌啶衍生物，其中R1、R2、R3、R4、R5、R6、R7和X的定义如说明书和权利要求中所述，以及其生理上可接受的盐和酯。这些化合物抑制L-CPT1，可用作药物。
• Novel 6-Azapteridines from Bifunctional 1,2,4-Triazines
  作者：Heinrich Wamhoff、Milena Tzanova

  DOI：10.1135/cccc20030965

  日期：——

  The convergent synthesis of ethyl 5-chloro- and 5-amino-3-aryl-1,2,4-triazinecarboxylates 9a-9d and 10a-10d as well as of 5-amino-3-aryl-1,2,4-triazine-6-carboxamides 11a-11d is described. Compounds 9, 10 and 11 are powerful key compounds for cyclization reactions to the novel pyrimido[4,5-e][1,2,4]triazines 13d, 14c, 14d, 15c and 17a, 17d.

  乙基5-氯和5-氨基-3-芳基-1,2,4-三嗪羧酸乙酯9a-9d和10a-10d的收敛合成，以及5-氨基-3-芳基-1,2,4-三嗪-6-羧酰胺11a-11d的合成被描述。化合物9、10和11是用于新型嘧啶并[4,5-e][1,2,4]三嗪13d、14c、14d、15c和17a、17d的环化反应的关键化合物。
• Process for the preparation of furo(3,4-e)-as-triazines
  申请人：Sandoz, Inc.

  公开号：US03962240A1

  公开（公告）日：1976-06-08

  5,5,7,7-tetramethyl-3-substituted or unsubstituted-phenylfuro[3,4-e]-as-triazines, e.g., 5,7-dihydro-5,5,7,7-tetramethyl-3-(m-nitrophenyl)furo[3,4-e]-as-triazine, are prepared by reacting a 2,2,5,5-tetramethyl-3,4(2H,5H)furandione with substituted or unsubstituted benzimidic acid hydrazide under an inert atmosphere in the presence of an inert organic solvent and are useful as sleep inducers and minor tranquilizers.

  5,5,7,7-四甲基-3-取代或未取代苯基呋喃[3,4-e]-嘧啶类化合物，例如5,7-二氢-5,5,7,7-四甲基-3-(m-硝基苯基)呋喃[3,4-e]-嘧啶，是通过在惰性有机溶剂存在下，在惰性气氛下将2,2,5,5-四甲基-3,4(2H,5H)呋喃二酮与取代或未取代苯并咪唑酸肼反应制备的，并且可用作催眠剂和轻度安定剂。
• Synthesis and Monoamine Oxidase Inhibitory Activity of New Pyridazine-, Pyrimidine- and 1,2,4-Triazine-Containing Tricyclic Derivatives
  作者：Andrea Carotti、Marco Catto、Francesco Leonetti、Francesco Campagna、Ramón Soto-Otero、Estefanía Méndez-Álvarez、Ulrike Thull、Bernard Testa、Cosimo Altomare

  DOI：10.1021/jm070728r

  日期：2007.11.1

  A number of condensed azines, mostly belonging to the families of indeno-fused pyridazines (1), pyrimidines (13), and 12,4-triazines (4, 5), were synthesized and evaluated in vitro as monoamine oxidase (MAO) A and B inhibitors. Most of them showed higher inhibition potency toward MAO-B, the most effective one being 3-(3-nitrophenyl)-9H-indeno[1,2-e] [1,2,4]triazin-9-one (4c), which displayed an IC50 value of 80 nM and proved to be I 0-fold more potent than its [2,1-e] fusion isomer 5. Replacing the 3-phenyl group of the known indeno[12-c]pyridazin-5-one MAO-B inhibitors with a flexible phenoxymethyl group enhanced the inhibitory potency. The inhibition data highlighted the importance of the aza-heterocyclic scaffold in affecting the MAO isoform selectivity. The 3-phenyl derivatives with type 1, 4, and 5 scaffolds were inhibitors of MAO-B with little or no MAO-A effect, whereas 2- or 3-phenyl derivatives of type 2 and 3 pyrimidine-containing fusion isomers inhibited both isoenzymes with a structure-dependent preference toward MAOA.
• Electronic spectra of asym-triazinyl groups
  作者：O. P. Shkurko、L. L. Gogin、S. G. Baram、V. P. Mamaev

  DOI：10.1007/bf00663866

  日期：1987.2