6-氨基哒嗪-3-甲酸乙酯 | 98548-01-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-氨基哒嗪-3-甲酸乙酯
• 中文别名: 6-氨基吡嗪-3-羧酸乙酯
• 英文名称: ethyl 6-aminopyridazine-3-carboxylate
• CAS: 98548-01-7
• 化学式: C₇H₉N₃O₂
• mdl: MFCD11226322
• 分子量: 167.167
• InChiKey: ZVBFSYSSUMGOKQ-UHFFFAOYSA-N

物化性质

• 熔点：
  168-169 °C
• 沸点：
  417.0±25.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 6-aminopyridazine-3-carboxylate
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: Ethyl 6-aminopyridazine-3-carboxylate
CAS number: 98548-01-7

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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: C7H9N3O2
Molecular weight: 167.2

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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-氨基哒嗪-3-甲酸乙酯 在 吡啶 、 氢溴酸 、 一氯化碘 作用下， 反应 50.0h， 生成 ethyl 3-iodoimidazo[1,2-b]pyridazine-6-carboxylate
  参考文献：
  名称：

  [EN] GCN2 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE GCN2 ET LEURS UTILISATIONS

  摘要：

  本发明提供了化合物、其组合物以及使用它们的方法。

  公开号：

  WO2019148132A1
• 作为产物：
  描述：

  6-氯哒嗪3-羧酸乙酯 在 盐酸 、 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 6-氨基哒嗪-3-甲酸乙酯
  参考文献：
  名称：

  Highly efficient one-pot amination of carboxylate-substituted nitrogen-containing heteroaryl chlorides via Staudinger reaction

  摘要：

  An efficient one-pot method for the synthesis of tert-butyl 6-aminonicotinate (5) is described. The key transformation involves displacement of the chloro group in tert-butyl 6-chloronicotinate (2) with azide followed by a Staudinger reaction. The scope of this methodology is further extended for the synthesis of a series of carboxylate-substituted heteroaryl amines. In particular, we synthesized tert-butyl carboxylate-substituted amino-pyridine, -pyridazine, and -pyrazine. In addition to one-pot conversion, short reaction time, simplicity of operation, ease of purification, and good yields are the key advantages of this methodology. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.027

文献信息

• [EN] PI4KIIIBETA INHIBITORS<br/>[FR] INHIBITEURS DE PI4KIIIBÊTA
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019141694A1

  公开（公告）日：2019-07-25

  The invention relates to compounds of formula (I) which are inhibitors of kinase activity, pharmaceutical formulations containing the compounds and their uses in treating and preventing viral infections and disorders caused or exacerbated by the viral infection wherein R1, R2, R3, R4a, R4b, R4c, R5, W, X, Y and Z are defined herein.

  这项发明涉及式(I)的化合物，这些化合物是激酶活性的抑制剂，包含这些化合物的药物配方以及它们在治疗和预防病毒感染及由病毒感染引起或加重的疾病中的用途，其中R1、R2、R3、R4a、R4b、R4c、R5、W、X、Y和Z在此处定义。
• [EN] IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS<br/>[FR] IMIDAZOPYRIDAZINES EN TANT QU'INHIBITEURS DE LA KINASE AKT
  申请人：BAYER IP GMBH

  公开号：WO2012136776A1

  公开（公告）日：2012-10-11

  Imidazopyridazines of formula (I) a process for their production and the use thereof.

  Imidazopyridazines的公式（I）的制备方法及其用途。
• HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Ambit Biosciences Corporation

  公开号：US20130096113A1

  公开（公告）日：2013-04-18

  Provided herein are heterocyclic compounds for treatment of CSF1R, FLT3, KIT, and/or PDGFRβ kinase mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了用于治疗CSF1R、FLT3、KIT和/或PDGFRβ激酶介导的疾病的杂环化合物。此外，还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS
  申请人：Bärfacker Lars

  公开号：US20140113901A1

  公开（公告）日：2014-04-24

  Imidazopyridazines of formula (I) a process for their production and the use thereof.

  式(I)的咪唑吡啶衍生物的制备方法及其用途。
• Imidazopyridazines as Akt kinase inhibitors
  申请人：Bärfacker Lars

  公开号：US09206185B2

  公开（公告）日：2015-12-08

  The application relates to imidazopyridazines of formula (I) which are useful as Akt inhibitors suitable for the treatment of cancer, and processes for their production and the use thereof.

  该申请涉及公式(I)的咪唑吡啶类化合物，其可用作Akt抑制剂，适用于癌症治疗，以及它们的生产过程和使用方法。