2-氨基-4-硝基吡啶 | 4487-50-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2-氨基-4-硝基吡啶
• 中文别名: 4-硝基吡啶-2-胺
• 英文名称: 2-amino-4-nitropyridine
• 英文别名: 4-nitropyridin-2-amine；4-nitropyridine-2-amine
• CAS: 4487-50-7
• 化学式: C₅H₅N₃O₂
• mdl: MFCD04114148
• 分子量: 139.114
• InChiKey: DBDHHHBAZZYVJG-UHFFFAOYSA-N

物化性质

• 熔点：
  96 °C
• 沸点：
  339.0±22.0 °C(Predicted)
• 密度：
  1.437±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氨基-4-硝基吡啶 在 吡啶 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 7-(2-acetamidopyridin-4-yloxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
  参考文献：
  名称：

  Design and Optimization of Potent and Orally Bioavailable Tetrahydronaphthalene Raf Inhibitors

  摘要：

  Inhibition of mutant B-Raf signaling, through either direct inhibition of the enzyme or inhibition of MEK, the direct substrate of Raf, has been demonstrated preclinically to inhibit tumor growth. Very recently, treatment of B-Raf mutant melanoma patients with a selective B-Raf inhibitor has resulted in promising preliminary evidence of antitumor activity. This article describes the design and optimization of tetrahydronaphthalene-derived compounds as potent inhibitors of the Raf pathway in vitro and in vivo. These compounds possess good pharmacokinetic properties in rodents and inhibit B-Raf mutant tumor growth in mouse xenograft models.

  DOI：

  10.1021/jm101479y
• 作为产物：
  描述：

  2-氯吡啶-N-氧化物 在 盐酸 、 硫酸 、 氨 、 水 、 硝酸 、 三氯化磷 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 2-氨基-4-硝基吡啶
  参考文献：
  名称：

  Structural and vibrational investigation of 2-amino-4-nitropyridine crystal

  摘要：

  The X-ray structure of 2-amino-4-nitropyridine was determined at room temperature. The crystal belongs to the P2(1)/c space group of the monoclinic system (Z = 4, a = 6.7290(10), b = 10.946(2), c = 9.060(2) Angstrom, beta = 100.03(3) deg) and is built of layers parallel to the (102) crystallographic plane. The molecules in the layer are joined into centrosymmetric dimers by two N-H ... N hydrogen bonds (N ... N distance = 3.011(3) Angstrom), which form rings of Ci symmetry. The other N-H bonds of the amino groups are involved in N-H ... O hydrogen bonds with the oxygen atoms of the nitro groups (N ... O distance = 3.054(3) Angstrom). These hydrogen bonds join the dimers into an infinite plane. The powder IR and Raman spectra (4000-80 cm(-1)) were measured for normal and deuterated crystals and are discussed with respect to the crystal structure. The N-H stretching vibrations behave as the stretching vibrations of two almost independent hydrogen bonds. Strong A(g)-A(u)-type splitting is observed for the stretching vibrations of the N-H ... N type hydrogen bonds. (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00009-4

文献信息

• SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF
  申请人：Calderwood Emily F.

  公开号：US20120015942A1

  公开（公告）日：2012-01-19

  This invention provides compounds of formula (I): wherein R 1a , R 1b , R 1c , R 2a , R 2b , R 2c , and R 2d have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.

  这项发明提供了式（I）的化合物： 其中R1a、R1b、R1c、R2a、R2b、R2c和R2d的取值如规范中所述，可用作HDAC6的抑制剂。该发明还提供了包括该发明化合物的药物组合物，以及在治疗增殖性、炎症性、感染性、神经系统或心血管疾病或紊乱中使用这些组合物的方法。
• 一种选择性钠通道调节剂及其制备和应用
  申请人：明慧医药（上海）有限公司

  公开号：CN112300069A

  公开（公告）日：2021-02-02

  本发明提供了作为选择性钠通道调节剂的化合物及合成和使用方法，具体地，本发明提供了一种如式(I)所示的化合物，及其制备方法和作为选择性钠通道调节剂的用途。所述的化合物表现出作为钠通道调节剂的优异活性。
• Lewis Acid-Catalyzed Intermolecular Annulation: Three-Component Reaction toward Imidazo[1,2-<i>a</i>]pyridine Thiones
  作者：Zhengwang Chen、Pei Liang、Fan Xu、Rulin Qiu、Qi Tan、Lipeng Long、Min Ye

  DOI：10.1021/acs.joc.9b01188

  日期：2019.7.19

  A Lewis acid-catalyzed three-component annulation reaction of 2-aminopyridines and ynals with elemental sulfur was established. A series of imidazo[1,2-a]pyridine thiones was obtained in moderate to excellent yields. The merits of this transformation include easily available starting materials, multiple C-heteroatom bond formation in one pot, good functional group tolerance, elemental sulfur as S source

  建立了路易斯酸催化的2-氨基吡啶和ynals与元素硫的三组分环化反应。以中等至优异的产率获得了一系列咪唑并[1,2- a ]吡啶硫酮。这种转化的优点包括：容易获得的起始原料，在一个罐中形成多个C-杂原子键，良好的官能团耐受性，元素硫作为S源，操作简便等。
• [EN] SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF<br/>[FR] COMPOSÉS DE PYRIMIDINE SUBSTITUÉE, COMPOSITIONS ET APPLICATIONS MÉDICINALES CORRESPONDANTES
  申请人：JUBILANT BIOSYS LTD

  公开号：WO2015025197A1

  公开（公告）日：2015-02-26

  The present disclosure relates to pyrimidine compounds of formula (I), their stereoisomers, tautomers, pharmaceutically acceptable salts, polymorphs, solvates, and hydrates thereof. The present disclosure also relates to process of preparation of these pyrimidine compounds, and to pharmaceutical compositions containing them. The compounds of the present disclosure are useful in the treatment, prevention or suppression of diseases and disorders mediated by epidermal growth factor receptor (EGFR) family kinases.

  本公开涉及式(I)的嘧啶化合物，它们的立体异构体、互变异构体、药学上可接受的盐、多型体、溶剂合物和水合物。本公开还涉及制备这些嘧啶化合物的方法，以及含有它们的药物组合物。本公开的化合物在治疗、预防或抑制由表皮生长因子受体（EGFR）家族激酶介导的疾病和紊乱方面具有用途。
• [EN] BIFUNCTIONAL COMPOUNDS AND USE FOR REDUCING URIC ACID LEVELS<br/>[FR] COMPOSÉS BIFONCTIONNELS ET LEUR UTILISATION POUR RÉDUIRE LES TAUX D'ACIDE URIQUE
  申请人：WARRELL RAYMOND P

  公开号：WO2015123003A1

  公开（公告）日：2015-08-20

  Bifunctional compounds that increase uric acid excretion and reduce uric acid production. Methods of using these compounds for reducing uric acid levels in blood or serum, for treating disorders of uric acid metabolism, and for maintaining normal uric acid levels in blood or serum are provided. Pharmaceutical compositions comprising the bifunctional compounds are also provided.

  具有双重功能的化合物可以增加尿酸排泄并减少尿酸产生。提供了使用这些化合物来降低血液或血清中尿酸水平、治疗尿酸代谢紊乱疾病以及维持血液或血清中正常尿酸水平的方法。同时还提供了含有这些双功能化合物的药物组合物。