4-叔丁基氨基-6-氯嘧啶 | 945896-38-8

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 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: 4-叔丁基氨基-6-氯嘧啶
• 中文别名: N-(叔丁基)-6-氯嘧啶-4-胺
• 英文名称: 4-chloro-6-tert-butylaminopyrimidine
• 英文别名: N-tert-butyl-6-chloropyrimidin-4-amine；N-(tert-Butyl)-6-chloropyrimidin-4-amine
• CAS: 945896-38-8
• 化学式: C₈H₁₂ClN₃
• 分子量: 185.656
• InChiKey: YWCAYWDYSOKSJG-UHFFFAOYSA-N

物化性质

• 沸点：
  299.3±20.0 °C(Predicted)
• 密度：
  1.183±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 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：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-tert-Butylamino-6-chloropyrimidine
Synonyms: N-tert-Butyl-6-chloropyrimidin-4-amine

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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: 4-tert-Butylamino-6-chloropyrimidine
CAS number: 945896-38-8

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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: C8H12ClN3
Molecular weight: 185.7

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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：

  4-叔丁基氨基-6-氯嘧啶 、 甲氧苯胺 在 palladium diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以48%的产率得到N4-tert-butyl-N6-(4-methoxyphenyl)pyrimidine-4,6-diamine
  参考文献：
  名称：

  SUBSTITUTED PYRIDINES AND PYRIMIDINES

  摘要：

  提供的是式（I）的化合物和/或其盐， 其中基团具有各种含义，一种从哺乳动物细胞中培养类心肌细胞的方法，通过在存在式（I）的化合物的情况下培养哺乳动物细胞，化合物式（I）用于从全能、多能或已分化的哺乳动物细胞中产生类心肌细胞的药用途，以及用于治疗与心脏功能受损有关的疾病的由此产生的类心肌细胞。

  公开号：

  US20120294835A1
• 作为产物：
  描述：

  4,6-二氯嘧啶 、 叔丁胺 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 以90%的产率得到4-叔丁基氨基-6-氯嘧啶
  参考文献：
  名称：

  SUBSTITUTED PYRIDINES AND PYRIMIDINES

  摘要：

  提供的是式（I）的化合物和/或其盐， 其中基团具有各种含义，一种从哺乳动物细胞中培养类心肌细胞的方法，通过在存在式（I）的化合物的情况下培养哺乳动物细胞，化合物式（I）用于从全能、多能或已分化的哺乳动物细胞中产生类心肌细胞的药用途，以及用于治疗与心脏功能受损有关的疾病的由此产生的类心肌细胞。

  公开号：

  US20120294835A1

文献信息

• Substituted pyridines and pyrimidines
  申请人：Mihovilovic Marko

  公开号：US08986994B2

  公开（公告）日：2015-03-24

  Provided are compounds of formula (I) and/or salts thereof, of the class of substituted pyridines and pyrimidines, useful for inducing cardiomyogenesis, a process for producing cardiomyocyte-like cells from mammalian cells by culturing mammalian cells in the presence of the compound of formula (I), the pharmaceutical use of compounds of formula (I) for producing cardiomyocyte-like cells from omnipotent, pluripotent, or lineage committed mammalian cells, and the use of thus produced cardiomyocyte-like cells for treating disorders associated with impaired function of the heart.

  提供了式（I）的化合物和/或其盐，属于取代吡啶和嘧啶类，可用于诱导心肌发生作用。通过在化合物（I）的存在下培养哺乳动物细胞，从而从哺乳动物细胞中产生类心肌细胞的过程，化合物（I）的制药用途用于从全能、多能或分化系承诺的哺乳动物细胞中产生类心肌细胞，以及用于治疗与心脏功能受损有关的疾病所产生的类心肌细胞。
• Non-systemic TGR5 agonists
  申请人：Venenum Biodesign, LLC

  公开号：US10654834B2

  公开（公告）日：2020-05-19

  The present invention relates to tricyclic compounds of formula (I) and formula (II), or a pharmaceutically acceptable salt thereof. The present tricyclic compounds are useful non-systemic TGR5 agonists that can be used to treat diabetic diseases in human. The present invention provides a pharmaceutical composition containing tricyclic compounds of formula (I) and formula (II) and a method of making as well as a method of using same in treating patients inflicted with metabolic disorders by administering same. The compounds of the present invention may be used in combination with additional anti-diabetic drugs.

  本发明涉及式（I）和式（II）的三环化合物或其药学上可接受的盐。本发明的三环化合物是有用的非系统性 TGR5 激动剂，可用于治疗人类糖尿病疾病。本发明提供了一种含有式（I）和式（II）三环化合物的药物组合物及其制造方法，以及一种通过给药治疗代谢紊乱患者的方法。本发明的化合物可与其他抗糖尿病药物联合使用。
• [EN] SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE - LIKE CELLS<br/>[FR] PYRIDINES ET PYRIMIDINES SUBSTITUÉES
  申请人：UNIV WIEN TECH

  公开号：WO2011079343A3

  公开（公告）日：2011-10-13
• SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS
  申请人：Technische Universität Wien

  公开号：EP2519501A2

  公开（公告）日：2012-11-07
• NOVEL NON-SYSTEMIC TGR5 AGONISTS
  申请人：Venenum Biodesign, LLC

  公开号：US20190330191A1

  公开（公告）日：2019-10-31

  The present invention relates to tricyclic compounds of formula (I) and formula (II), or a pharmaceutically acceptable salt thereof. The present tricyclic compounds are useful non-systemic TGR5 agonists that can be used to treat diabetic diseases in human. The present invention provides a pharmaceutical composition containing tricyclic compounds of formula (I) and formula (II) and a method of making as well as a method of using same in treating patients inflicted with metabolic disorders by administering same. The compounds of the present invention may be used in combination with additional anti-diabetic drugs.