4-氯-5-甲基嘧啶-2-胺 | 20090-58-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 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-氯-5-甲基嘧啶-2-胺
• 英文名称: 4-chloro-5-methylpyrimidin-2-yl-amine
• 英文别名: 4-chloro-5-methyl-pyrimidin-2-amine；4-chloro-5-methylpyrimidin-2-amine；4-chloro-5-methyl-pyrimidin-2-ylamine；4-Chlor-5-methyl-pyrimidin-2-ylamin；2-amino-4-chloro-5-methyl-pyrimidine；4-chloro-2-amino-5-methylpyrimidine
• CAS: 20090-58-8
• 化学式: C₅H₆ClN₃
• mdl: MFCD00725898
• 分子量: 143.576
• InChiKey: UDBZUFZWXJJBAL-UHFFFAOYSA-N

物化性质

• 熔点：
  184-185℃
• 沸点：
  320.8±34.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 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

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Chloro-5-methylpyrimidin-2-amine
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Chloro-5-methylpyrimidin-2-amine
CAS number: 20090-58-8

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C5H6ClN3
Molecular weight: 143.6

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯-5-甲基嘧啶-2-胺 在 四(三苯基膦)钯 、 氢溴酸 、 sodium carbonate 作用下， 以 甲醇 、 水 、 溶剂黄146 、 甲苯 为溶剂， 反应 24.0h， 生成 3-(2-Amino-5-methylpyrimidin-4-yl)-1,6-dihydropyrrolo[2,3-c]pyridin-5-one
  参考文献：
  名称：

  [EN] 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS NIK INHIBITORS FOR THE TREATMENT OF CANCER
  [FR] DÉRIVÉS DE 3-(2-AMINOPYRIMIDIN-4-YL)-5-(3-HYDROXYPROPYNYL)-1H-PYRROLO[2,3-C]PYRIDINE EN TANT QU'INHIBITEURS DE NIK DANS LE TRAITEMENT DU CANCER

  摘要：

  本发明涉及式(I)化合物，该化合物是NF-KB诱导激酶（NIK，也称为MAP3K14）的抑制剂，用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病。本发明还涉及包含这种化合物的药物组合物，制备这种化合物和组合物的方法，以及使用这种化合物或药物组合物预防或治疗癌症、炎症性疾病、包括肥胖和糖尿病的代谢性疾病和自身免疫性疾病。

  公开号：

  WO2014174021A1
• 作为产物：
  描述：

  2-氨基-5-甲基-4-嘧啶醇 在 三氯氧磷 、 氨 作用下， 以 水 为溶剂， 反应 0.75h， 以29%的产率得到4-氯-5-甲基嘧啶-2-胺
  参考文献：
  名称：

  HETEROARYL DERIVATIVES AS CFTR MODULATORS

  摘要：

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白（“CFTR”），以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。

  公开号：

  US20090221597A1

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2004074278A1

  公开（公告）日：2004-09-02

  The invention relates to pyridine derivatives of formula (I) where the variables are defined in the specification.Processes for the preparation of these compounds together with pharmaceutical compositions containing them and their use in therapy in particular in the modulation of autoimmune disease is also described.

  这项发明涉及式(I)的吡啶衍生物，其中变量在规范中定义。描述了制备这些化合物的方法，以及含有它们的药物组合物，并且还描述了它们在治疗中的使用，特别是在调节自身免疫疾病方面的用途。
• [EN] ALKYNYL ALCOHOLS AS KINASE INHIBITORS<br/>[FR] ALCOOLS D'ALCYNYLE UTILISÉS COMME INHIBITEURS DE KINASES
  申请人：AMGEN INC

  公开号：WO2009158011A1

  公开（公告）日：2009-12-30

  Selected compounds are effective for prophylaxis and treatment of inflammation and inflammatory disorders, such as NIK-mediated disorders. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, inflammation and the like.

  选定的化合物对预防和治疗炎症和炎症性疾病，如NIK介导的疾病，具有有效性。该发明涵盖了新颖的化合物、类似物、前药及其药用可接受的盐，以及用于预防和治疗涉及炎症等疾病和其他疾病或病症的药物组合物和方法。
• [EN] PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS INHIBITEURS DE PYRIMIDINE TBK/IKKε ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2019079373A1

  公开（公告）日：2019-04-25

  The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as TBK/IKKε inhibitors.

  这项发明涉及公式I的化合物及其药用可接受的组合物，可用作TBK/IKKε抑制剂。
• Identification of potent and selective MTH1 inhibitors
  作者：Alessia Petrocchi、Elisabetta Leo、Naphtali J. Reyna、Matthew M. Hamilton、Xi Shi、Connor A. Parker、Faika Mseeh、Jennifer P. Bardenhagen、Paul Leonard、Jason B. Cross、Sha Huang、Yongying Jiang、Mario Cardozo、Giulio Draetta、Joseph R. Marszalek、Carlo Toniatti、Philip Jones、Richard T. Lewis

  DOI：10.1016/j.bmcl.2016.02.026

  日期：2016.3

  Structure based design of a novel class of aminopyrimidine MTH1 (MutT homolog 1) inhibitors is described. Optimization led to identification of IACS-4759 (compound 5), a sub-nanomolar inhibitor of MTH1 with excellent cell permeability and good metabolic stability in microsomes. This compound robustly inhibited MTH1 activity in cells and proved to be an excellent tool for interrogation of the utility

  描述了基于结构的新型氨基嘧啶MTH1（MutT同系物1）抑制剂的设计。优化导致鉴定IACS-4759（化合物5），MTH1亚纳摩尔抑制剂，在微粒体中具有出色的细胞通透性和良好的代谢稳定性。该化合物强烈抑制细胞中的MTH1活性，并被证明是在肿瘤学背景下研究MTH1抑制作用的极佳工具。
• [EN] INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER<br/>[FR] INHIBITEURS DE LA PHOSPHOINOSITIDE 3-KINASE ET DE L'HISTONE DÉSACÉTYLASE POUR LE TRAITEMENT DU CANCER
  申请人：US HEALTH

  公开号：WO2018237007A1

  公开（公告）日：2018-12-27

  The present invention is directed to a dual inhibitor of phosphoinositide 3-kinase (PI3K) and histone deacetylase (HDAC), including a core containing a quinazoline moiety or a quinazolin-4(3H)-one moiety, a kinase hinge binding moiety, and a histone deacetylase pharmacophore, a pharmaceutically acceptable salt thereof, a prodrug thereof, or solvate thereof. The present invention is also directed to a histone deacetylase inhibitor, including a core containing a quinazolin-4(3H)-one moiety and a histone deacetylase pharmacophore.

  本发明涉及一种磷脂酰肌醇3-激酶（PI3K）和组蛋白去乙酰化酶（HDAC）的双重抑制剂，包括一个含有喹唑啉基团或喹唑啉-4(3H)-酮基团的核心，一个激酶铰链结合基团，和一个组蛋白去乙酰化酶药效团，以及其药用盐、前药或溶剂化物。本发明还涉及一种组蛋白去乙酰化酶抑制剂，包括一个含有喹唑啉-4(3H)-酮基团和一个组蛋白去乙酰化酶药效团的核心。