1-甲基-4-乙氨基吡唑 | 796845-58-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-甲基-4-乙氨基吡唑
• 英文名称: 2-(1-methyl-1H-pyrazol-4-yl)ethanamine
• 英文别名: 2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine；2-(1-methylpyrazol-4-yl)ethanamine
• CAS: 796845-58-4
• 化学式: C₆H₁₁N₃
• mdl: MFCD08449557
• 分子量: 125.173
• InChiKey: VVIZVEAXGCWHOM-UHFFFAOYSA-N

物化性质

• 沸点：
  233.6±15.0℃ (760 Torr)
• 密度：
  1.11±0.1 g/cm3 (20 ºC 760 Torr)
• 闪点：
  95.1±20.4℃
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933199090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(1-Methyl-1h-pyrazol-4-yl)ethanamine
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: 2-(1-Methyl-1h-pyrazol-4-yl)ethanamine
CAS number: 796845-58-4

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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: C6H11N3
Molecular weight: 125.2

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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：

  1-甲基-4-乙氨基吡唑 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 1,3-二溴-5,5-二甲基海因 、 potassium carbonate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 40.5h， 生成 4-[2-bromo-5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile
  参考文献：
  名称：

  [EN] METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1
  [FR] PROCÉDÉS ET COMPOSÉS POUR MODULER UNE DYSTROPHIE MYOTONIQUE DE TYPE 1

  摘要：

  本公开涉及转录调节分子化合物和调节dmpk表达的方法，以及治疗dmpk发挥积极作用的疾病和病症的方法。所述转录调节剂包括a）第一端包括DNA结合基团，能够非共价地结合到核苷酸重复序列CAG或CTG上；b）第二端包括蛋白结合基团，能够结合到调节分子上，该调节分子调节包括核苷酸重复序列CAG或CTG的基因的表达；以及c）寡聚骨架，包括连接第一端和第二端的连接物。

  公开号：

  WO2022126000A1
• 作为产物：
  描述：

  3-(1-甲基-1H-4-吡唑基)-丙酸 在 palladium 10% on activated carbon 叠氮磷酸二苯酯 、 氢气 、 三乙胺 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 9.0h， 生成 1-甲基-4-乙氨基吡唑
  参考文献：
  名称：

  [EN] CEPHEM COMPOUNDS
  [FR] COMPOSES CEPHEMES

  摘要：

  本发明涉及一种化合物，其化学式为[I]：其中R1是可能具有适当取代基的低碳烷基，R2是氨基、保护氨基或胍基，R3是羧基或保护羧基，R4是氨基或保护氨基，A是低碳烷基，或其在药学上可接受的盐，一种制备化合物[I]的方法，以及包含化合物[I]与药学上可接受的载体混合的药物组合物。

  公开号：

  WO2004101571A1

文献信息

• [EN] HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] THIÉNOPYRIMIDINES CONTENANT UN GROUPE HÉTÉROCYCLOALKYLE POUR DES COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011104337A1

  公开（公告）日：2011-09-01

  The present invention relates to novel pharmaceutical compositions comprising thienopyrimidine compounds. Moreover, the present invention relates to the use of the thienopyrimidine compounds of the invention for the production of pharmaceutical compositions for the prophylaxis and/or treatment of diseases which can be influenced by the inhibition of the kinase activity of Mnk1 and/or Mnk2 (Mnk2a or Mnk2b) and/or variants thereof.

  本发明涉及包含噻吩并嘧啶化合物的新颖药物组合物。此外，本发明涉及利用本发明的噻吩并嘧啶化合物生产药物组合物，用于预防和/或治疗可通过抑制Mnk1和/或Mnk2（Mnk2a或Mnk2b）及其变体的激酶活性而影响的疾病。
• Substituted arylpyrazoles
  申请人：Billen Denis

  公开号：US20060287365A1

  公开（公告）日：2006-12-21

  This invention relates to a range of 1-aryl-4-cyclopropylpyrazoles in which the cyclopropyl ring is substituted at the angular position, and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes to their synthesis and their use as parasiticides.

  这项发明涉及一系列1-芳基-4-环丙基吡唑，其中环丙基环在角位被取代，以及其药用盐和溶剂合物，包括这些化合物的组合物，它们的合成过程以及它们作为驱虫剂的用途。
• 一种用作吲哚胺2，3-双加氧酶的抑制剂的1， 2，5-噁二唑衍生物
  申请人：盛世泰科生物医药技术（苏州）有限公司

  公开号：CN110204537B

  公开（公告）日：2021-10-08

  本发明属于1，2，5‑噁二唑衍生物技术领域，具体涉及一种用作吲哚胺2，3‑双加氧酶的抑制剂的1，2，5‑噁二唑衍生物或其药学上可接受的盐。所述用作IDO抑制剂的1，2，5‑噁二唑衍生物或其药学上可接受的盐，其结构如下式Ⅰ所示：本发明提供了一种结构新颖的通式化合物I；实验结果表明，本发明提供的实施例中部分化合物同时具有优异IDO抑制活性及渗透性能。本发明提供的实施例化合物有望作为肿瘤分子免疫治疗药物上市用于癌症的治疗。
• [EN] NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES<br/>[FR] NOUVEAUX AMIDES D'INDOLE ET DE PYRROLOPYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2012114252A1

  公开（公告）日：2012-08-30

  The present invention relates to indole and pyrrolopyridine amide derivatives of formula (I) wherein R1, R 2, R 3, U, V, W, X, Y, Z and ring A are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as orexin receptor antagonists.

  本发明涉及式(I)的吲哚和吡咯吡啶酰胺衍生物，其中R1、R2、R3、U、V、W、X、Y、Z和环A如描述中所述，以及它们的制备方法，其药学上可接受的盐，以及它们作为药物的用途，含有式(I)的一个或多个化合物的药物组合物，特别是它们作为促进睡眠激素受体拮抗剂的用途。
• HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS
  申请人：LEHMANN-LINTZ Thorsten

  公开号：US20110212102A1

  公开（公告）日：2011-09-01

  The present invention relates to novel pharmaceutical compositions comprising thienopyrimidine compounds. Moreover, the present invention relates to the use of the thienopyrimidine compounds of the invention for the production of pharmaceutical compositions for the prophylaxis and/or treatment of diseases which can be influenced by the inhibition of the kinase activity of Mnk1 and/or Mnk2 (Mnk2a or Mnk2b) and/or variants thereof.

  本发明涉及包含噻吡啶并嘧啶化合物的新颖药物组合物。此外，本发明涉及利用本发明的噻吡啶并嘧啶化合物生产药物组合物，用于预防和/或治疗可通过抑制Mnk1和/或Mnk2（Mnk2a或Mnk2b）及其变体的激酶活性而影响的疾病。