6-溴-1,2,4-噻嗪-3-胺 | 69249-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 6-溴-1,2,4-噻嗪-3-胺
• 中文别名: 3-氨基-6-溴-1,2,4-三嗪
• 英文名称: 6-bromo-1,2,4-triazin-3-amine
• 英文别名: 3-amino-6-bromo-1,2,4-triazine；6-bromo-1,2,4-triazine-3-amine；3-amino-6-bromo-1,2,4-triazin
• CAS: 69249-22-5
• 化学式: C₃H₃BrN₄
• mdl: MFCD16877209
• 分子量: 174.988
• InChiKey: WIBIPFPOGMLYJQ-UHFFFAOYSA-N

物化性质

• 沸点：
  373.6±34.0 °C(Predicted)
• 密度：
  1.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933699090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Bromo-1,2,4-triazin-3-amine
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-Bromo-1,2,4-triazin-3-amine
CAS number: 69249-22-5

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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, 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: C3H3BrN4
Molecular weight: 175.0

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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 bromide.

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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-溴-1,2,4-噻嗪-3-胺 在 双氧水 作用下， 以 水 、 溶剂黄146 为溶剂， 反应 24.0h， 以63%的产率得到3-amino-6-bromo-1,2,4-triazin-5(2H)-one
  参考文献：
  名称：

  Synthetic Route Design of AZD4635, an A_2AR Antagonist

  摘要：

  The AstraZeneca approach to synthetic Route Design is exemplified through our AZD4635 chemical development program. The identification of possible new route concepts is presented, as well as their subsequent prioritization for practical exploration based on project objectives. Selected ideas were tested to demonstrate proof of concept for the bond formation strategy and, where successful, were fed into a decision tool based on key SELECTion principles.

  DOI：

  10.1021/acs.oprd.9b00171
• 作为产物：
  描述：

  1,2,4-三嗪-3-胺 在 溴 作用下， 以 甲醇 、 水 为溶剂， 生成 6-溴-1,2,4-噻嗪-3-胺
  参考文献：
  名称：

  Reactions of 3-amino-1,2,4-triazine with coupling reagents and electrophiles

  摘要：

  摘要 在钯催化剂存在下，3-氨基-1,2,4-三嗪与硼酸等偶联试剂和末端炔烃发生反应，获得了一种新杂环系统的类似物。还进行了其他反应，如三嗪第 5 位的胺化反应，然后与苯基异氰酸酯和苯甲酰氯发生亲电反应，生成新的单酰基和苯甲酰基化合物。

  DOI：

  10.1515/hc-2022-0149

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20190169166A1

  公开（公告）日：2019-06-06

  Provided is a heterocyclic compound that may have a GCN2 inhibitory action, and is expected to be useful for the prophylaxis or treatment of GCN2 associated diseases including cancer and the like. A compound represented by the formula (I): wherein each symbol is as described in the DESCRIPTION, or a salt thereof.

  提供的是一种可能具有GCN2抑制作用的杂环化合物，预计可用于预防或治疗与GCN2相关的疾病，包括癌症等。一种由以下式（I）表示的化合物： 其中每个符号如描述中所述，或其盐。
• [EN] HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION<br/>[FR] COMPOSÉS HYDRAZONE HÉTÉROCYCLIQUES ET LEURS UTILISATIONS POUR TRAITER LE CANCER ET L'INFLAMMATION
  申请人：NOVARTIS AG

  公开号：WO2011018454A1

  公开（公告）日：2011-02-17

  The invention relates to compounds of formula (I) and salts thereof: wherein the substituents are as defined in the specification; a compound of formula (I) for use in the treatment of the human or animal body, in particular with regard to c-Met tyrosine kinase mediated diseases or conditions; the use of a compound of formula (I) for manufacturing a medicament for the treatment of such diseases; pharmaceutical compositions comprising a compound of the formula (I), optionally in the presence of a combination partner, and processes for the preparation of a compound of formula (I).

  该发明涉及公式(I)的化合物及其盐：其中取代基如规范中所定义；公式(I)的化合物用于治疗人体或动物体，特别是针对c-Met酪氨酸激酶介导的疾病或症状；公式(I)的化合物用于制造治疗此类疾病的药物；包含公式(I)的化合物的药物组合物，可选地与组合伙伴一起，并且公式(I)的化合物的制备方法。
• 喹啉类化合物、其制备方法、中间体、药物组合 物和应用
  申请人：上海医药集团股份有限公司

  公开号：CN105968115B

  公开（公告）日：2018-11-09

  本发明公开了喹啉类化合物、其制备方法、中间体、药物组合物和应用。本发明提供了一种如式1所示的喹啉类化合物、其药学上可接受的盐、溶剂化物、代谢产物、代谢前体或其药物前体。本发明的喹啉类化合物对酪氨酸激酶C‑Met有良好的抑制效果，可以用于制备预防、治疗或辅助治疗与C‑Met的表达或活性有关的多种疾病、尤其是肿瘤疾病的药物。
• [EN] HETEROCYCLIC OXIME COMPOUNDS<br/>[FR] COMPOSÉS D'OXIMES HÉTÉROCYCLIQUES
  申请人：NOVARTIS AG

  公开号：WO2011020861A1

  公开（公告）日：2011-02-24

  The invention relates to compounds of formula (I) and salts thereof wherein the substituents are as defined in the specification; a compound of formula (I) for use in the treatment of the human or animal body, in particular with regard to c-Met tyrosine kinase mediated diseases or conditions; the use of a compound of formula (I) for manufacturing a medicament for the treatment of such diseases; pharmaceutical compositions comprising a compound of the formula (I), optionally in the presence of a combination partner, and processes for the preparation of a compound of formula (I).

  该发明涉及公式(I)的化合物及其盐，其中取代基如规范中所定义；公式(I)的化合物用于治疗人体或动物体，特别是针对c-Met酪氨酸激酶介导的疾病或症状；公式(I)的化合物用于制造治疗此类疾病的药物；包含公式(I)的化合物的药物组合物，可选地与组合伙伴一起，并且用于制备公式(I)的化合物的方法。
• SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)-IMIDAZO[1,2-b][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME
  申请人：Weng Lingkai

  公开号：US20090291956A1

  公开（公告）日：2009-11-26

  The present invention is directed to dihydrochloric acid and dibenzenesulfonic acid salts of the c-Met kinase inhibitor 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)-imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide, and pharmaceutical compositions thereof, useful in the treatment of cancer and other diseases related to the dysregulation of kinase pathways. The present invention further relates to processes and intermediates for preparing 2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide, and salts thereof.

  本发明涉及二氢氯酸和二苯磺酸盐的c-Met激酶抑制剂2-氟-N-甲基-4-[7-(喹啉-6-基甲基)-咪唑[1,2-b][1,2,4]三嗪-2-基]苯甲酰胺，以及其制药组合物，在癌症和其他与激酶途径失调相关的疾病治疗中有用。本发明还涉及用于制备2-氟-N-甲基-4-[7-(喹啉-6-基甲基)咪唑[1,2-b][1,2,4]三嗪-2-基]苯甲酰胺及其盐的工艺和中间体。