2,4-二甲基-5-氨基吡啶 | 1193-71-1

• 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: 2,4-二甲基-5-氨基吡啶
• 中文别名: 3-氨基-4,6-二甲基吡啶
• 英文名称: 5-amino-2,4-dimethylpyridine
• 英文别名: 4,6-dimethylpyridin-3-amine；3-amino-4,6-dimethylpyridine；4,6-dimethyl-3-pyridinamine；5-Amino-2,4-lutidin
• CAS: 1193-71-1
• 化学式: C₇H₁₀N₂
• 分子量: 122.17
• InChiKey: SHSQTJRJQHPJRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  68 °C
• 沸点：
  255-257 °C
• 密度：
  1.039±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO：24 mg/mL (196.45 mM)；乙醇：24 mg/mL (196.45 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 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：
  Xi
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Amino-2,4-dimethylpyridine
Synonyms:

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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-Amino-2,4-dimethylpyridine
CAS number: 1193-71-1

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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, refrigerated.
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: C7H10N2
Molecular weight: 122.2

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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：

  2,4-二甲基-5-氨基吡啶 在 硫酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.5h， 以47%的产率得到4,6-二甲基-3-吡啶醇
  参考文献：
  名称：

  一系列腺苷A 3受体激动剂的合成†

  摘要：

  一系列的1'-（6-氨基嘌呤-9-基）-1'-脱氧-N-甲基-β - D-核呋喃核糖酰胺，其特征为2-二烷基氨基-7-甲基恶唑并[4,5- b ]吡啶-已经合成了用于筛选为选择性腺苷A 3受体激动剂的感兴趣的N 6上的5-基甲基取代基。这项工作涉及与已知的1'-（6-氯嘌呤-9-基）-1'-脱氧偶联的2-二烷基氨基-5-氨基甲基-7-甲基恶唑并[4,5- b ]吡啶和类似物的合成。- ñ -甲基- β- d -ribofuranuronamide。通过2,4-二甲基吡啶N的区域选择性官能化合成恶唑并[4,5- b ]吡啶-氧化物。发现这些反应的区域选择性取决于与2-二甲基氨基-5,7-二甲基恶唑并[4,5- b ]吡啶-N-氧化物在与三氟乙酸反应时在7-甲基上进行区域选择性官能化的杂环的性质。与4，6-二甲基-3-羟基吡啶-N-氧化物与乙酸酐的反应相反，后者导致6-甲基官能化。为了优化对A

  DOI：

  10.1039/c6ob00244g
• 作为产物：
  描述：

  2,4-二甲基吡啶 在 硫酸 、 palladium 10% on activated carbon 、 氢气 、 potassium nitrate 作用下， 以 甲醇 为溶剂， 20.0~120.0 ℃ 、101.33 kPa 条件下， 反应 32.0h， 生成 2,4-二甲基-5-氨基吡啶
  参考文献：
  名称：

  一系列腺苷A 3受体激动剂的合成†

  摘要：

  一系列的1'-（6-氨基嘌呤-9-基）-1'-脱氧-N-甲基-β - D-核呋喃核糖酰胺，其特征为2-二烷基氨基-7-甲基恶唑并[4,5- b ]吡啶-已经合成了用于筛选为选择性腺苷A 3受体激动剂的感兴趣的N 6上的5-基甲基取代基。这项工作涉及与已知的1'-（6-氯嘌呤-9-基）-1'-脱氧偶联的2-二烷基氨基-5-氨基甲基-7-甲基恶唑并[4,5- b ]吡啶和类似物的合成。- ñ -甲基- β- d -ribofuranuronamide。通过2,4-二甲基吡啶N的区域选择性官能化合成恶唑并[4,5- b ]吡啶-氧化物。发现这些反应的区域选择性取决于与2-二甲基氨基-5,7-二甲基恶唑并[4,5- b ]吡啶-N-氧化物在与三氟乙酸反应时在7-甲基上进行区域选择性官能化的杂环的性质。与4，6-二甲基-3-羟基吡啶-N-氧化物与乙酸酐的反应相反，后者导致6-甲基官能化。为了优化对A

  DOI：

  10.1039/c6ob00244g

文献信息

• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2017012647A1

  公开（公告）日：2017-01-26

  The present invention discloses compounds according to Formula (I), wherein R1, R3, R4, R5, L1, and Cy are as defined herein. The present invention also provides compounds, methods for the production of said compounds of the invention, pharmaceutical compositions comprising the same and their use in allergic or inflammatory conditions, autoimmune diseases, proliferative diseases, transplantation rejection, diseases involving impairment of cartilage turnover, congenital cartilage malformations, and/or diseases associated with hypersecretion of IL6 and/or interferons. The present invention also methods for the prevention and/or treatment of the aforementioned diseases by administering a compound of the invention.

  本发明公开了根据式（I）的化合物，其中R1、R3、R4、R5、L1和Cy如本文所定义。本发明还提供了该发明的化合物、制备该化合物的方法、包括相同化合物的药物组合物以及它们在过敏或炎症症状、自身免疫疾病、增殖性疾病、移植排斥、涉及软骨周转障碍的疾病、先天软骨畸形和/或与IL6和/或干扰素过度分泌相关的疾病中的使用。本发明还提供了通过给予该发明的化合物来预防和/或治疗上述疾病的方法。
• Thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06610692B1

  公开（公告）日：2003-08-26

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, wherein b is NY or O; c is CY2 or N; d is CY3 or N; e is CY4 or N; f is CY5 or N; g is CY6 or N; Y4, Y5, and Y6 are independently hydrogen, C1-4 alkyl, or halogen; Y1 and Y2 are independently hydrogen, C1-4 alkyl, C3-7 cycloalkyl, halogen, NH2, OH or C1-4 alkoxy, and Y3 is hydrogen, C1-4 alkyl, C3-7 cycloalkyl, halogen, —CN, NH2, OH or C1-4 alkoxy; A is and W, W1, R1, R3, R4, R5, X and Z are defined in the specification.

  发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构：或其药学上可接受的盐，其中b为NY或O；c为CY2或N；d为CY3或N；e为CY4或N；f为CY5或N；g为CY6或N；Y4、Y5和Y6独立地为氢、C1-4烷基或卤素；Y1和Y2独立地为氢、C1-4烷基、C3-7环烷基、卤素、NH2、OH或C1-4烷氧基，Y3为氢、C1-4烷基、C3-7环烷基、卤素、—CN、NH2、OH或C1-4烷氧基；A为，并且W、W1、R1、R3、R4、R5、X和Z在规范中有定义。
• [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。
• NOVEL COMPOUNDS
  申请人：Glaxo Group Limited

  公开号：US20150065507A1

  公开（公告）日：2015-03-05

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫疾病中的应用。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2013160419A1

  公开（公告）日：2013-10-31

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators, processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ.

  本发明涉及新型视黄醛相关孤儿受体γ（RORγ）调节剂，其制备方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫性疾病中的应用。