3-氨基-5-氯吡啶 | 22353-34-0

• 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 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-氨基-5-氯吡啶
• 中文别名: 5-氯-3-氨基吡啶
• 英文名称: 5-chloropyridin-3-amine
• 英文别名: 3-amino-5-chloropyridine；5-chloro-3-pyridinamine；3-chloro-5-amino pyridine；3-Amino-5-chlor-pyridin
• CAS: 22353-34-0
• 化学式: C₅H₅ClN₂
• mdl: MFCD03701386
• 分子量: 128.561
• InChiKey: ZHMASVAJFJFFLS-UHFFFAOYSA-N

物化性质

• 熔点：
  71-75℃
• 沸点：
  275.8±20.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 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：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S24/25,S26
• 危险类别码：
  R22,R36
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险标志：
  GHS07
• 危险性描述：
  H302,H319
• 危险性防范说明：
  P305 + P351 + P338
• 储存条件：
  室温

SDS

3-氨基-5-氯吡啶MSDS英文版

反应信息

• 作为反应物：
  描述：

  3-氨基-5-氯吡啶 在 盐酸 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 22.75h， 生成 (E)-4-((5-chloropyridin-3-yl)diazenyl)-5-hydroxy-3-(4-nitrophenyl)-1H-pyrazole-1-carbothioamide
  参考文献：
  名称：

  Synthesis and structure–activity analysis of diphenylpyrazolodiazene inhibitors of the HIV-1 Nef virulence factor

  摘要：

  HIV-1 Nef is a critical AIDS progression factor yet underexplored target for antiretroviral drug discovery. A recent high-throughput screen for pharmacological inhibitors of Nef-dependent Src-family kinase activation identified a diphenylpyrazolodiazene hit compound with submicromolar potency in HIV-1 replication assays against a broad range of primary Nef variants. This compound, known as 'B9', binds directly to Nef and inhibits its dimerization in cells as a possible mechanism of action. Here were synthesized a diverse set of B9 analogs and identified structural features essential to antiretroviral activity. Chemical modifications to each of the three rings present in the parent compound were identified that did not compromise antiviral action. These analogs will guide the development of next-generation compounds with appropriate pharmacological profiles for assessment of antiretroviral activity in vivo. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.045
• 作为产物：
  描述：

  3,5-二氯吡啶 在 甲醇 、 氨 、 copper(II) sulfate 作用下， 生成 3-氨基-5-氯吡啶
  参考文献：
  名称：

  Rodewald; Plazek, Roczniki Chemii, 1938, vol. 18, p. 39,41

  摘要：

  DOI：

文献信息

• Discovery of 5-substituent-N-arylbenzamide derivatives as potent, selective and orally bioavailable LRRK2 inhibitors
  作者：Xiao Ding、Xuedong Dai、Kai Long、Cheng Peng、Daniele Andreotti、Paul Bamborough、Andrew J. Eatherton、Colin Edge、Karamjit S. Jandu、Paula L. Nichols、Oliver J. Philps、Luigi Piero Stasi、Zehong Wan、Jia-Ning Xiang、Kelly Dong、Pamela Dossang、Ming-Hsun Ho、Yi Li、Lucy Mensah、Xiaoming Guan、Alastair D. Reith、Feng Ren

  DOI：10.1016/j.bmcl.2017.07.052

  日期：2017.9

  potential therapeutic target for Parkinson’s disease. Herein we report the discovery of 5-substituent-N-arylbenzamide derivatives as novel LRRK2 inhibitors. Extensive SAR study led to the discovery of compounds 8e, which demonstrated potent LRRK2 inhibition activity, high selectivity across the kinome, good brain exposure, and high oral bioavailability.

  富含亮氨酸的重复激酶2（LRRK2）已被建议作为帕金森氏病的潜在治疗靶标。在此，我们报道了5-取代基-N-芳基苯甲酰胺衍生物作为新型LRRK2抑制剂的发现。广泛的SAR研究导致了化合物8e的发现，该化合物表现出强大的LRRK2抑制活性，对全基因组的高选择性，良好的脑暴露和较高的口服生物利用度。
• Palladium Nanocatalysts Encapsulated on Porous Silica @ Magnetic Carbon‐Coated Cobalt Nanoparticles for Sustainable Hydrogenation of Nitroarenes, Alkenes and Alkynes.
  作者：Gunjan Purohit、Diwan S. Rawat、Oliver Reiser

  DOI：10.1002/cctc.201901371

  日期：2020.1.18

  Palladium nanoparticles were impregnated on porous silica shell carbon‐coated cobalt nanoparticles, resulting in a magnetically retrievable material that was evaluated in the catalytic hydrogenation of nitroarenes, alkenes and alkynes. The prepared material was characterized by HR‐XRD, HR‐TEM, elemental mapping EDX, ICP‐OES and XPS analyses, revealing highly dispersed palladium nanoparticles within the

  钯纳米粒子被浸渍在多孔的二氧化硅壳碳包覆的钴纳米粒子上，产生了一种磁性可回收材料，该材料在硝基芳烃，烯烃和炔烃的催化加氢中得到了评估。所制备的材料通过HR-XRD，HR-TEM，元素图谱EDX，ICP-OES和XPS分析进行了表征，揭示了多孔平台内高度分散的钯纳米粒子，这可能说明了所观察到的高活性。温和的反应条件，借助外磁体的催化剂易于回收，四次循环回收（总浸出量为19 ppm（最初使用的Pd量的1.2％））以及高稳定性，使得这种材料对可持续发展和环境具有吸引力良性应用。
• [EN] SULFONYL PYRIDYL TRP INHIBITORS<br/>[FR] INHIBITEURS DE SULFONYLPYRIDYLE TRP
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018029288A1

  公开（公告）日：2018-02-15

  The invention is concerned with the compounds of formula I: (I) and pharmaceutically acceptable salts thereof where R1 is a substituted or unsubstituted phenyl or a fused bicyclic comprising a substituted or unsubstituted phenyl. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  本发明涉及公式I的化合物：(I)以及其中R1是取代的或未取代的苯基或包含取代的或未取代的苯基的并环双环的 pharmaceutically 可接受的盐。此外，本发明还涉及制造和使用公式I化合物的方法以及包含此类化合物的药物组合物。这些化合物可能对治疗由TRPA1介导的疾病和状况，如疼痛，是有用的。
• [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES PARASITAIRES
  申请人：IRM LLC

  公开号：WO2014078813A1

  公开（公告）日：2014-05-22

  The present invention provides compounds of formula I: [INSERT FORMULA HERE] or a pharmaceutically acceptable salt, tautomer, or stereoisomer, thereof, wherein the variables are as defined herein. The present invention further provides pharmaceutical compositions comprising such compounds and methods of using such compounds for treating, preventing, inhibiting, ameliorating, or eradicating the pathology and/or symptomology of a disease, such as malaria, caused by a Plasmodium parasite.

  本发明提供了式I的化合物：[在此插入公式]或其药学上可接受的盐、互变异构体或立体异构体，其中变量如本文所定义。本发明还提供了包含这种化合物的药物组合物以及使用这种化合物治疗、预防、抑制、改善或根除由疟原虫引起的疟疾等疾病的方法。
• [EN] TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES DE QUINOLÉINE ET D'AZAQUINOLINE À SUBSTITUTION HÉTÉROARYLE INHIBITEURS DE PAR4
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018013776A1

  公开（公告）日：2018-01-18

  Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII) or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a tricyclic heteroaryl group substituted with R3a and zero to 2 R3b; and R1, R2, R3a, R3b, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

  揭示了化合物的结构式（I）至（VIII）：（I）（II）（III）（IV）（V）（VI）（VII）（VIII）或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药，其中R3是一个三环杂芳基，其上取代有R3a和零至2个R3b；R1、R2、R3a、R3b、R4和n在此有定义。还揭示了将这些化合物用作PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在抑制或预防血小板聚集方面很有用，并且可用于治疗血栓栓塞性疾病或血栓栓塞性疾病的初级预防。

表征谱图