6-氨基嘧啶-4-羧酸 | 38214-46-9

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 其他氨基酸衍生物
• 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-氨基嘧啶-4-羧酸
• 英文名称: 4-amino-6-carboxypyrimidine
• 英文别名: 6-amino-pyrimidine-4-carboxylic acid；6-Amino-pyrimidin-4-carbonsaeure；6-aminopyrimidine-4-carboxylic acid；6-Amino-4-carboxy-pyrimidin
• CAS: 38214-46-9
• 化学式: C₅H₅N₃O₂
• 分子量: 139.114
• InChiKey: KXPKWHNZKVLCRR-UHFFFAOYSA-N

物化性质

• 沸点：
  436.9±30.0 °C(Predicted)
• 密度：
  1.533±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.1
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Amino-pyrimidine-4-carboxylic acid
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-Amino-pyrimidine-4-carboxylic acid
CAS number: 38214-46-9

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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: C5H5N3O2
Molecular weight: 139.1

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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：

  甲醇 、 6-氨基嘧啶-4-羧酸 在 盐酸 作用下， 生成 6-氨基嘧啶-4-羧酸甲酯
  参考文献：
  名称：

  Shkurko, O. P.; Terekhova, M. I.; Petrov, E. S., Journal of Organic Chemistry USSR (English Translation), 1981, p. 260 - 265

  摘要：

  DOI：
• 作为产物：
  描述：

  6-氨基-4-嘧啶甲酰胺 在 硫酸 作用下， 生成 6-氨基嘧啶-4-羧酸
  参考文献：
  名称：

  Bredereck et al., Chemische Berichte, 1956, vol. 89, p. 12,14,17

  摘要：

  DOI：

文献信息

• ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS
  申请人：Yamagishi Tatsuya

  公开号：US20140336377A1

  公开（公告）日：2014-11-13

  The present invention relates to arylamide derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及一种芳基酰胺衍生物，其具有阻断电压门控钠通道（如TTX-S通道）的活性，并且在涉及电压门控钠通道的疾病和疾病的治疗或预防中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在涉及电压门控钠通道的这种疾病的预防或治疗中的使用。
• Arylamide derivatives as TTX-S blockers
  申请人：Yamagishi Tatsuya

  公开号：US09302991B2

  公开（公告）日：2016-04-05

  The present invention relates to arylamide derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及芳基酰胺衍生物，其具有阻断电压门控钠通道（TTX-S通道）的活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病方面有用。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗涉及电压门控钠通道的疾病方面使用这些化合物和组合物。
• WO2007/30061
  申请人：——

  公开号：——

  公开（公告）日：——
• Shkurko, O. P.; Terekhova, M. I.; Petrov, E. S., Journal of Organic Chemistry USSR (English Translation), 1981, p. 260 - 265
  作者：Shkurko, O. P.、Terekhova, M. I.、Petrov, E. S.、Mamaev, V. P.、Shatenshtein, A. I.

  DOI：——

  日期：——
• Bredereck et al., Chemische Berichte, 1956, vol. 89, p. 12,14,17
  作者：Bredereck et al.

  DOI：——

  日期：——