6-二甲基氨基烟酸甲酯 | 26218-81-5

• 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: 6-二甲基氨基烟酸甲酯
• 英文名称: methyl 6-(dimethylamino)nicotinate
• 英文别名: 6-(N,N-Dimethylamino)-methylnicotinat；3-Methoxycarbonyl-6-dimethylaminopyridin；Methylester der 6-Dimethylamino-nicotinsaeure；6-dimethylamino-nicotinic acid methyl ester；methyl 6-(dimethylamino)pyridine-3-carboxylate
• CAS: 26218-81-5
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: TZAXGDYSEPXZJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 6-dimethylaminonicotinate
Synonyms: Methyl 6-dimethylamino-3-pyridinecarboxylate

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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: Methyl 6-dimethylaminonicotinate
CAS number: 26218-81-5

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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: C9H12N2O2
Molecular weight: 180.2

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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：

  6-二甲基氨基烟酸甲酯 在 lithium aluminium tetrahydride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.5h， 以77.4%的产率得到6-(二甲氨基)-3-吡啶甲醇
  参考文献：
  名称：

  新型18 F标签苯氧甲基吡啶衍生物作为胰岛淀粉样多肽成像探针的表征

  摘要：

  由胰岛淀粉样多肽组成的胰岛淀粉样蛋白的沉积构成2型糖尿病（T2DM）的病理特征之一，并且可能与T2DM的发生和发展有关。但是，关于胰岛淀粉样蛋白沉积与T2DM病理之间关系的细节仍然不清楚，因为没有可用的成像示踪剂能够使胰岛淀粉样蛋白可视化。在本研究中，我们合成和评估了六个新颖的18 F标记苯氧基甲基吡啶（PMP）衍生物作为胰岛淀粉样多肽成像探针。所有18个F标记的PMP衍生物不仅在死后T2DM胰腺切片中显示出对胰岛淀粉样蛋白的亲和力，而且在正常小鼠中也显示出优异的药代动力学。此外，离体放射自显影研究表明[18 F] FPMP-5在糖尿病模型小鼠胰腺中体内显示了胰岛淀粉样蛋白的强烈标记。临床前研究表明[ 18 F] FPMP-5可能作为靶向T2DM胰腺中胰岛淀粉样多肽聚集体的成像探针。

  DOI：

  10.1021/acs.molpharmaceut.8b00756
• 作为产物：
  描述：

  聚合甲醛 、 6-氨基烟酸甲酯 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 反应 23.0h， 以85.5%的产率得到6-二甲基氨基烟酸甲酯
  参考文献：
  名称：

  新型18 F标签苯氧甲基吡啶衍生物作为胰岛淀粉样多肽成像探针的表征

  摘要：

  由胰岛淀粉样多肽组成的胰岛淀粉样蛋白的沉积构成2型糖尿病（T2DM）的病理特征之一，并且可能与T2DM的发生和发展有关。但是，关于胰岛淀粉样蛋白沉积与T2DM病理之间关系的细节仍然不清楚，因为没有可用的成像示踪剂能够使胰岛淀粉样蛋白可视化。在本研究中，我们合成和评估了六个新颖的18 F标记苯氧基甲基吡啶（PMP）衍生物作为胰岛淀粉样多肽成像探针。所有18个F标记的PMP衍生物不仅在死后T2DM胰腺切片中显示出对胰岛淀粉样蛋白的亲和力，而且在正常小鼠中也显示出优异的药代动力学。此外，离体放射自显影研究表明[18 F] FPMP-5在糖尿病模型小鼠胰腺中体内显示了胰岛淀粉样蛋白的强烈标记。临床前研究表明[ 18 F] FPMP-5可能作为靶向T2DM胰腺中胰岛淀粉样多肽聚集体的成像探针。

  DOI：

  10.1021/acs.molpharmaceut.8b00756

文献信息

• AMINOPYRIDINE DERIVATIVES AS MODULATORS OF MGLUR5
  申请人：GRANBERG Kenneth

  公开号：US20090111823A1

  公开（公告）日：2009-04-30

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新型化合物，其制备方法，它们在治疗中的应用以及包含这些新型化合物的药物组合物。
• Alpha-(N-sulfonamido)acetamide derivatives as beta-amyloid inhibitors
  申请人：——

  公开号：US20040127494A1

  公开（公告）日：2004-07-01

  There is provided a series of novel &agr;-(N-sulfonamido)acetamide compounds of the Formula (I) 1 wherein R, R 1 , R 2 and R 3 are defined herein, which are inhibitors of &bgr;-amyloid peptide (&bgr;-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by anti-amyloid activity.

  提供了一系列新型的&agr;-(N-磺酰胺基)乙酰胺化合物，化学式为(I)1，其中R、R1、R2和R3在此定义，它们是&bgr;-淀粉样肽(&bgr;-AP)产生的抑制剂，可用于治疗阿尔茨海默病和其他受抗淀粉样活性影响的疾病。
• ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS
  申请人：Parker F. Michael

  公开号：US20080085894A1

  公开（公告）日：2008-04-10

  There is provided a series of novel α-(N-sulfonamido)acetamide compounds of the Formula (I) wherein R, R 1 , R 2 and R 3 are defined herein, which are inhibitors of β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by anti-amyloid activity.

  提供了一系列新型α-(N-磺酰胺基)乙酰胺化合物的公式(I)，其中R、R1、R2和R3在此定义，它们是β-淀粉样肽（β-AP）产生的抑制剂，并且在治疗阿尔茨海默病和其他受到抗淀粉样蛋白活性影响的疾病中有用。
• α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US07300936B2

  公开（公告）日：2007-11-27

  There is provided a series of novel α-(N-sulfonamido)acetamide compounds of the Formula (I) wherein R, R1, R2 and R3 are defined herein, which are inhibitors of β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by anti-amyloid activity.

  提供了一系列新型α-(N-磺酰胺基)乙酰胺化合物，化学式为(I)，其中R、R1、R2和R3在此定义，它们是β-淀粉样肽(β-AP)产生的抑制剂，并且在治疗阿尔茨海默病和其他受抗淀粉样活性影响的疾病中有用。
• Alpha-(N-Sulfonamido)Acetamide Derivatives as Beta-Amyloid Inhibitors
  申请人：Parker Michael F.

  公开号：US20110105485A1

  公开（公告）日：2011-05-05

  There is provided a series of novel α-(N-sulfonamido)acetamide compounds of the Formula (I) wherein R, R 1 , R 2 and R 3 are defined herein, which are inhibitors of β-amyloid peptide (β-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions affected by anti-amyloid activity.

  提供了一系列新型的α-(N-磺酰胺基)乙酰胺化合物(I式)，其中R、R1、R2和R3如本文所定义，它们是β-淀粉样肽（β-AP）产生的抑制剂，并且在治疗阿尔茨海默病和其他受抗淀粉样蛋白活性影响的疾病中有用。