6-氯-3-甲基[1,2,4]三唑并[4,3-B]哒嗪 | 7197-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并哒嗪类
• 中文名称: 6-氯-3-甲基[1,2,4]三唑并[4,3-B]哒嗪
• 中文别名: 6-氯-3-甲基[1,2,4]三唑并[4,3-b]哒嗪
• 英文名称: 6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
• 英文别名: 6-Chlor-3-methyl-1,2,4-triazolo<4,3-b>pyridazin；6-chloro-3-methyl-1,2,4-triazolo<4,3-b>pyridazine；6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
• CAS: 7197-01-5
• 化学式: C₆H₅ClN₄
• mdl: MFCD00975127
• 分子量: 168.585
• InChiKey: NHLQOVMOYMLRHE-UHFFFAOYSA-N

物化性质

• 熔点：
  104-105 °C
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 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
• 储存条件：
  2-8°C，保持在惰性气氛中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
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: 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
CAS number: 7197-01-5

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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: C6H5ClN4
Molecular weight: 168.6

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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, hydrogen chloride.

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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-氯-3-甲基[1,2,4]三唑并[4,3-B]哒嗪 在 五氯化磷 、 三氯氧磷 作用下， 反应 3.0h， 以10%的产率得到3,6-二氯并[1,2,4]噻唑并[4,3-b]哒嗪
  参考文献：
  名称：

  Baloniak, S.; Katrusiak, A., Polish Journal of Chemistry, 1994, vol. 68, # 4, p. 683 - 692

  摘要：

  DOI：
• 作为产物：
  描述：

  6-chloro-3-(ethylidenehydrazino)pyridazine 在 溴 、 sodium acetate 、 溶剂黄146 作用下， 反应 6.0h， 生成 6-氯-3-甲基[1,2,4]三唑并[4,3-B]哒嗪
  参考文献：
  名称：

  Baloniak, S.; Katrusiak, A., Polish Journal of Chemistry, 1994, vol. 68, # 4, p. 683 - 692

  摘要：

  DOI：

文献信息

• [EN] INHIBITORS OF LIN28 AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE LIN28 ET LEURS MÉTHODES D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2021126779A1

  公开（公告）日：2021-06-24

  The present disclosure relates to compounds of formula (I) and compositions comprising the same. The disclosure further relates to methods of treating cancers.

  本公开涉及公式(I)的化合物以及包含相同化合物的组合物。进一步地，本公开还涉及治疗癌症的方法。
• [EN] TRIAZOLO COMPOUNDS<br/>[FR] COMPOSÉS TRIAZOLO
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014072261A1

  公开（公告）日：2014-05-15

  The present invention relates to compounds of formula (I) and its use for the treatment of neurological disorders.

  本发明涉及式(I)的化合物及其在治疗神经系统疾病中的应用。
• ISOXAZOLO-PYRIDAZINE DERIVATIVES
  申请人：Buettelmann Bernd

  公开号：US20090143385A1

  公开（公告）日：2009-06-04

  The invention relates to isoxazolo-pyridazine compounds, in particular those of formula I as described above and to a pharmaceutically acceptable salts thereof, having affinity and selectivity for the GABA A α5 receptor binding site, their manufacture, pharmaceutical compositions containing them and their use as cognitive enhancers or for the treatment of cognitive disorders like Alzheimer's disease.

  这项发明涉及异氧唑吡啶嗪化合物，特别是如上所述的式I化合物及其药用盐，具有亲和力和选择性结合到GABA A α5受体结合位点，其制备方法，含有它们的药物组合物以及它们作为认知增强剂或用于治疗认知障碍如阿尔茨海默病。
• [EN] TRAF 6 INHIBITORS<br/>[FR] INHIBITEURS DE TRAF 6
  申请人：HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH

  公开号：WO2018050286A1

  公开（公告）日：2018-03-22

  The invention relates to compounds which are suitable for the treatment of cancer, an immune disease, Parkinson's disease, Cardiac Hypertrophy or Type-2 diabetes and to pharmaceutical compositions containing such compounds. The invention further relates to a kit of parts comprising such compounds.

  本发明涉及适用于治疗癌症、免疫性疾病、帕金森病、心脏肥大或2型糖尿病的化合物，以及含有这些化合物的药物组合物。该发明还涉及包含这些化合物的配套工具包。
• BROMODOMAIN INHIBITORS AND USES THEREOF
  申请人：Albrecht Brian K.

  公开号：US20140296243A1

  公开（公告）日：2014-10-02

  The present invention relates to compounds useful as inhibitors of bromodomain-containing proteins. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using said compositions in the treatment of various disorders.

  本发明涉及作为溴结构域含蛋白质抑制剂的化合物。该发明还提供包括本发明化合物的药学上可接受的组合物，以及使用该组合物治疗各种疾病的方法。