2-氯-4-氨基-6-甲基嘧啶 | 14394-60-6

• 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: 2-氯-4-氨基-6-甲基嘧啶
• 中文别名: 2-氯-6-甲基-4-氨基嘧啶
• 英文名称: 2-chloro-6-methyl-pyrimidin-4-ylamine
• 英文别名: 2-chloro-6-methylpyrimidin-4-amine；2-chloro-4-amino-6-methylpyrimidine；4-Amino-2-chlor-6-methyl-pyrimidin
• CAS: 14394-60-6
• 化学式: C₅H₆ClN₃
• mdl: MFCD05863311
• 分子量: 143.576
• InChiKey: FBEIDYLEFVIOEY-UHFFFAOYSA-N

物化性质

• 熔点：
  215 °C
• 沸点：
  312.9±22.0 °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

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37
• 危险类别码：
  R36/37/38,R22
• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Chloro-6-methyl-4-pyrimidinylamine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Chloro-6-methyl-4-pyrimidinylamine
CAS number: 14394-60-6

---

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：

  2-氯-4-氨基-6-甲基嘧啶 在 氢氧化钾 、 水 、 氢碘酸 作用下， 生成 1,3,4-trimethyl-6-oxo-3,6-dihydro-pyrimidinium; iodide
  参考文献：
  名称：

  锥虫病的合成。第三部分 4-氨基-6-（4-氨基-1：6-二甲基嘧啶-2-氨基）-1：2-二甲基喹啉盐和相关化合物

  摘要：

  DOI：

  10.1039/jr9550001850
• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 在 ammonium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 以75 %的产率得到2-氯-4-氨基-6-甲基嘧啶
  参考文献：
  名称：

  氮杂螺环化合物及其应用

  摘要：

  本发明提供了一类氮杂螺环化合物或其药学上可接受的盐、立体异构体、同位素异构体、前药、水合物或溶剂合物，此类化合物能够调节KIF18A蛋白，而且具有良好的PARP7抑制活性，可以用于制备预防或治疗癌症的药物。

  公开号：

  CN116535400A

文献信息

• FLAP MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20140221310A1

  公开（公告）日：2014-08-07

  The present invention relates to compounds of Formula (I), or a form thereof, wherein ring A, R 1 , L and R 2 are as defined herein, useful as FLAP modulators. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention.

  本发明涉及式（I）化合物，或其形式，其中环A，R1，L和R2如本文所定义，作为FLAP调节剂有用。该发明还涉及包含式（I）化合物的药物组合物。制备和使用式（I）化合物的方法也属于本发明的范围。
• [EN] POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS<br/>[FR] COMPOSÉS POLYCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS ALLOSTÉRIQUES DE SHP2
  申请人：REVOLUTION MEDICINES INC

  公开号：WO2019118909A1

  公开（公告）日：2019-06-20

  The present disclosure is directed to inhibitors of SHP2 and their use in the treatment of disease. Also disclosed are pharmaceutical compositions comprising the same.

  本公开涉及SHP2的抑制剂及其在治疗疾病中的应用。还公开了包含相同成分的药物组合物。
• [EN] FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS EN TANT QUE MODULATEURS DE RÉCEPTEUR D'OREXINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2011050202A1

  公开（公告）日：2011-04-28

  Certain disubstituted 3,8-diaza-bicyclo[4.2.0]octane and 3,6-diazabicyclo [3.2.0]heptane are described, which are useful as orexin inhibitors. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

  某些二取代的3,8-二氮杂双环[4.2.0]辛烷和3,6-二氮杂双环[3.2.0]庚烷被描述为俄雷昔蛋白抑制剂。这些化合物可能在制药组合物和治疗由俄雷昔蛋白活性介导的疾病状态、紊乱和病况的方法中有用，比如失眠。
• [EN] HETEROARYL AMIDES USEFUL AS KIF18A INHIBITORS<br/>[FR] AMIDES D'HÉTÉROARYLE UTILES EN TANT QU'INHIBITEURS DE KIF18A
  申请人：AMGEN INC

  公开号：WO2020132649A1

  公开（公告）日：2020-06-25

  The present invention relates to chemical compounds having a general formula (I), as defined herein, and synthetic intermediates thereof, which are capable of modulating KIF18A protein thereby influencing the process of cell cycle and cell proliferation to treat cancer and cancer-related diseases. The invention also includes pharmaceutical compositions, including the compounds, and methods of treating disease states related to the activity of KIF18A.

  本发明涉及具有通式（I）的化合物及其合成中间体，其可调节KIF18A蛋白从而影响细胞周期和细胞增殖过程以治疗癌症和癌症相关疾病。该发明还包括包括这些化合物的药物组合物，以及治疗与KIF18A活性相关的疾病状态的方法。
• [EN] GHRELIN O-ACYL TRANSFERASE INHIBITORS<br/>[FR] INHIBITEURS DE LA GHRÉLINE O-ACYL TRANSFÉRASE
  申请人：LILLY CO ELI

  公开号：WO2016168225A1

  公开（公告）日：2016-10-20

  The present invention provides novel GOAT inhibitors and their salts and pharmaceutical compositions thereof.

  本发明提供了新型的GOAT抑制剂及其盐和药物组合物。