2-甲基-4-氨基嘧啶 | 74-69-1

• 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: 2-甲基-4-氨基嘧啶
• 英文名称: 2-methyl-pyrimidin-4-ylamine
• 英文别名: 2-methylpyrimidin-4-amine；4-amino-2-methylpyrimidine；2-methyl-4-pyrimidinamine
• CAS: 74-69-1
• 化学式: C₅H₇N₃
• mdl: MFCD00626295
• 分子量: 109.131
• InChiKey: GKVDLTTVBNOGNJ-UHFFFAOYSA-N

物化性质

• 熔点：
  204-205℃
• 沸点：
  222℃
• 密度：
  1.155
• 闪点：
  111℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S39
• 危险类别码：
  R22,R37/38,R41
• 海关编码：
  2933599090
• WGK Germany：
  3
• 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: 2-Methyl-4-pyrimidinamine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Methyl-4-pyrimidinamine
CAS number: 74-69-1

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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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H7N3
Molecular weight: 109.1

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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：

  2-甲基-4-氨基嘧啶 在 吡啶 、 盐酸 、 铁粉 作用下， 生成 sulphamerazine
  参考文献：
  名称：

  Matsukawa et al., Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1950, vol. 70, p. 283,284

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基嘧啶 在 potassium permanganate 、 sodium amide 作用下， 生成 2-甲基-4-氨基嘧啶
  参考文献：
  名称：

  Buurman, Dick J.; Plas, Henk C. van der, Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1377 - 1380

  摘要：

  DOI：

文献信息

• Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
  作者：Jun Liang、Anne Van Abbema、Mercedesz Balazs、Kathy Barrett、Leo Berezhkovsky、Wade S. Blair、Christine Chang、Donnie Delarosa、Jason DeVoss、Jim Driscoll、Charles Eigenbrot、Simon Goodacre、Nico Ghilardi、Calum MacLeod、Adam Johnson、Pawan Bir Kohli、Yingjie Lai、Zhonghua Lin、Priscilla Mantik、Kapil Menghrajani、Hieu Nguyen、Ivan Peng、Amy Sambrone、Steven Shia、Jan Smith、Sue Sohn、Vickie Tsui、Mark Ultsch、Karen Williams、Lawren C. Wu、Wenqian Yang、Birong Zhang、Steven Magnuson

  DOI：10.1016/j.bmcl.2017.08.022

  日期：2017.9

  identification of an imidazopyridine class of potent and selective TYK2 inhibitors, exemplified by prototype 6, through constraint of the rotatable amide bond connecting the pyridine and aryl rings of compound 1. Further optimization led to generation of compound 30 that potently inhibits the TYK2 enzyme and the IL-23 pathway in cells, exhibits selectivity against cellular JAK2 activity, and has good pharmacokinetic

  本文我们报道咪唑并吡啶类的有效和选择性抑制剂TYK2的，由原型例举的识别6，通过可旋转的酰胺键连接的化合物的吡啶和芳基环的约束1。进一步的优化导致了化合物30的产生，该化合物有效抑制细胞中的TYK2酶和IL-23途径，表现出对细胞JAK2活性的选择性，并具有良好的药代动力学特性。在小鼠体内，化合物30PK / PD模型以及咪喹莫特诱发的牛皮癣模型中，IL-17产生的剂量依赖性降低。在这种功效模型中，IL-17的降低伴随着耳厚度的降低，表明TYK2抑制作为牛皮癣患者的治疗方法的潜力。
• Heteroaromatic glucokinase activators
  申请人：Hoffman-La Roche Inc.

  公开号：US06610846B1

  公开（公告）日：2003-08-26

  2,3-Di-substituted N-heteroaromatic propionamides with said substitution at the 3-position being a substituted phenyl group and at the 2-position being a methyl cycloalkyl ring, said propionamides being glucokinase activators which increase insulin secretion in the treatment of type II diabetes.

  2,3-二取代N-杂环丙酰胺，其中3位取代为取代苯基，2位取代为甲基环烷基环，这些丙酰胺是葡萄糖激酶激活剂，可增加胰岛素分泌，用于治疗2型糖尿病。
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：YUMANITY THERAPEUTICS INC

  公开号：WO2020198026A1

  公开（公告）日：2020-10-01

  The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.

  本发明涉及对神经系统疾病和原发性脑癌治疗中有用的化合物。本发明的化合物，单独或与其他药用活性剂结合使用，可用于治疗或预防神经系统疾病和原发性脑癌。
• [EN] BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSÉS BENZOLACTAMES UTILISÉS EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2017068412A1

  公开（公告）日：2017-04-27

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof. The compounds are inhibitors of ERK 1/2 kinases and will be useful in the treatment of ERKl/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  该发明提供了一个化合物，其化学式为(0)：或其药学上可接受的盐、N-氧化物或互变异构体。这些化合物是ERK 1/2激酶的抑制剂，并将在治疗ERKl/2介导的疾病中发挥作用。因此，这些化合物在治疗中特别是在癌症治疗中是有用的。
• Heterocyclic derivatives as modulators of ion channels
  申请人：Martinborough Esther

  公开号：US20080027067A1

  公开（公告）日：2008-01-31

  The present invention relates to heterocyclic derivatives useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及用作离子通道抑制剂的杂环衍生物。该发明还提供了包括本发明化合物的药用可接受组合物，以及使用这些组合物治疗各种疾病的方法。