4-(6-硝基-3-吡啶)吗啉 | 491855-89-1

• 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: 4-(6-硝基-3-吡啶)吗啉
• 中文别名: 4-(6-硝基-3-吡啶基)吗啉；4-(6-硝基吡啶-3-基)吗啉
• 英文名称: 4-(6-nitropyridin-3-yl)morpholine
• 英文别名: 4-(6-nitro-3-pyridyl)morpholine
• CAS: 491855-89-1
• 化学式: C₉H₁₁N₃O₃
• mdl: MFCD02224592
• 分子量: 209.205
• InChiKey: JAJUAAWSTSRHAD-UHFFFAOYSA-N

物化性质

• 沸点：
  423.2±45.0 °C(Predicted)
• 密度：
  1.325±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  71.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Morpholino-2-nitropyridine
Synonyms: 4-(6-Nitropyridin-3-yl)morpholine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Morpholino-2-nitropyridine
CAS number: 491855-89-1

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H11N3O3
Molecular weight: 209.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(6-硝基-3-吡啶)吗啉 在 tris-(dibenzylideneacetone)dipalladium(0) 、 N-溴代丁二酰亚胺(NBS) 、 palladium 10% on activated carbon 、 氢溴酸 、 氢气 、 potassium carbonate 、 溶剂黄146 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 3-bromo-2-(2,6-difluorophenyl)-4-((5-morpholinopyridin-2-yl)amino)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
  参考文献：
  名称：

  [EN] TYK2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE TYK2 ET LEURS UTILISATIONS

  摘要：

  本发明提供了化合物、其组合物以及使用这些化合物抑制TYK2并治疗TYK2介导的疾病的方法。

  公开号：

  WO2015131080A1
• 作为产物：
  描述：

  吗啉 、 5-溴-2-硝基吡啶 在 四甲基碘化铵 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 生成 4-(6-硝基-3-吡啶)吗啉
  参考文献：
  名称：

  设计，合成和生物学评估新型基于蛇窝蛋白的衍生物作为潜在的神经保护剂

  摘要：

  总共设计，合成了基于臭虫骨架的26种化合物。通过MTT分析评估了它们的抗氧化，抗炎和Aβ42（淀粉样β蛋白42）诱导的神经毒性的细胞保护能力。通过分子对接研究了所选化合物的作用机理。所有这些化合物的AlogP，logS和血脑屏障（BBB）渗透性均通过admetSAR进行了模拟。与osthole相比，大多数化合物具有更好的抗氧化和抗炎活性，尤其是OST7和OST17。化合物OST7在针对H 2 O 2的神经保护中显示出较高的活性。（45.7±5.5％），低浓度10μM的氧葡萄糖剥夺（64.6±4.8％）和Aβ42（61.4±5.2％）。在H 2 O 2和OGD诱导的细胞毒性模型中都测量了所选化合物的EC 50。此外，OST17的NO抑制能力（50.4±7.1％）已经超过了吲哚美辛阳性药物。结构活性关系研究表明，引入哌嗪基，四氢吡咯基和芳香胺基可能有助于增强osthole神经保护特性。分子对接

  DOI：

  10.1016/j.bmcl.2020.127633

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• [EN] COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS<br/>[FR] COMBINAISONS ET RÉGIMES POSOLOGIQUES POUR TRAITER DES TUMEURS RB-POSITIVES
  申请人：G1 THERAPEUTICS INC

  公开号：WO2016040858A1

  公开（公告）日：2016-03-17

  This invention directed to methods for treating select RB-positive cancers and other Rb- positive abnormal cellular proliferative disorders using CDK4/6 inhibitors in specific dosing and combination or alternation regimes. In one aspect, treatments of select RB-positive cancers are disclosed using specific CDK4/6 inhibitors in combination or alternation with another chemotherapeutic, for example, an additional kinase inhibitor, PD-1 inhibitor, or BCL-2 inhibitor, or combination thereof.

  这项发明涉及使用特定剂量和组合或交替方案中的CDK4/6抑制剂治疗选择性RB阳性癌症和其他RB阳性异常细胞增殖紊乱疾病的方法。在一个方面，揭示了使用特定CDK4/6抑制剂与另一种化疗药物（例如，额外的激酶抑制剂、PD-1抑制剂或BCL-2抑制剂，或其组合）组合或交替治疗选择性RB阳性癌症。
• [EN] IMIDAZOPYRIDINES SYK INHIBITORS<br/>[FR] INHIBITEURS DE SYK À BASE D'IMIDAZOPYRIDINES
  申请人：GILEAD SCIENCES INC

  公开号：WO2011112995A1

  公开（公告）日：2011-09-15

  Certain imidazopyridines (I) and pharmaceutical compositions thereof are provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of Syk activity, which comprises administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are provided. Also provided are methods for determining the presence or absence of Syk kinase in a sample.

  本文提供了某些咪唑吡啶(I)及其药物组合物。提供了治疗对Syk活性抑制敏感的患者患有某些疾病和疾病的方法，包括向这些患者施用至少一种有效减轻疾病或疾病症状的化学实体。还提供了一种确定样本中Syk激酶存在或不存在的方法。
• HPK1 ANTAGONISTS AND USES THEREOF
  申请人：Nimbus Saturn, Inc.

  公开号：US20210078996A1

  公开（公告）日：2021-03-18

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of HPK1, and the treatment of HPK1-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物用于抑制HPK1和治疗HPK1介导的疾病的方法。
• [EN] UREA DERIVATIVES AS INHIBITORS OF ASK1<br/>[FR] DÉRIVÉS D'URÉE UTILISÉS EN TANT QU'INHIBITEURS D'ASK1
  申请人：HEPAGENE THERAPEUTICS INC

  公开号：WO2019099307A1

  公开（公告）日：2019-05-23

  The present technology is directed to compounds, compositions, and methods related to inhibition of ASK1. In particular, the present compounds (e.g., compounds of Formula I as defined herein) and compositions may be used to treat ASK1-mediated disorders and conditions, including, e.g., fibrotic diseases and acute and chronic liver diseases, among others.

  目前的技术是针对抑制ASK1的化合物、组合物和方法。具体来说，目前的化合物（例如，本文所定义的Formula I的化合物）和组合物可用于治疗ASK1介导的疾病和病况，包括纤维化疾病以及急性和慢性肝病等。