2-氨基-5-溴-4-三氟甲基嘧啶 | 935534-47-7

• 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-氨基-5-溴-4-三氟甲基嘧啶
• 中文别名: 5-溴-4-(三氟甲基)嘧啶-2-胺；4-三氟甲基-5-溴-2-嘧啶胺；2-氨基-4-三氟甲基-5-溴吡啶
• 英文名称: 5-bromo-4-(trifluoromethyl)pyrimidin-2-amine
• 英文别名: 5-bromo-4-trifluoromethylpyrimidin-2-ylamine
• CAS: 935534-47-7
• 化学式: C₅H₃BrF₃N₃
• mdl: MFCD09261254
• 分子量: 241.998
• InChiKey: FAMGPURZLOTOKD-UHFFFAOYSA-N

物化性质

• 沸点：
  316.4±52.0 °C(Predicted)
• 密度：
  1.892

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 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：
  6

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090
• 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

---

Section 1. Identification of the substance
Product Name: 5-Bromo-4-(trifluoromethyl)pyrimidin-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: 5-Bromo-4-(trifluoromethyl)pyrimidin-2-amine
CAS number: 935534-47-7

---

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, refrigerated.
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: C5H3BrF3N3
Molecular weight: 242.0

---

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 fluoride, hydrogen bromide.

---

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-氨基-5-溴-4-三氟甲基嘧啶 在 四(三苯基膦)钯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  OXAZOLIDIN-2-ONE COMPOUNDS AND USES THEREOF

  摘要：

  本发明涉及氧唑烷-2-酮取代嘧啶化合物，其作为PI3K（磷脂酰肌醇-3-激酶）抑制剂，以及其药物组合物、制备方法和用于治疗依赖于PI3K的疾病、病症和疾病的用途。

  公开号：

  US20130225574A1
• 作为产物：
  描述：

  4-三氟甲基-2-氨基嘧啶 在 N-溴代丁二酰亚胺(NBS) 、 sodium hydroxide 作用下， 以 氯仿 、 二氯甲烷 为溶剂， 反应 20.0h， 以82%的产率得到2-氨基-5-溴-4-三氟甲基嘧啶
  参考文献：
  名称：

  [EN] METHOD OF INHIBITING HAMARTOMA TUMOR CELLS
  [FR] PROCÉDÉ D'INHIBITION DE CELLULES TUMORALES D'HAMARTOME

  摘要：

  二咪嗪吡啶是用于抑制错构瘤细胞生长或增殖的有效物质。由于二咪嗪吡啶抑制错构瘤细胞的生长和增殖，因此它们也可用于治疗PTEN错构瘤综合征。该发明提供的治疗和预防治疗方法是通过向需要的患者施用足够量的二咪嗪吡啶衍生物化合物，以有效抑制错构瘤细胞的生长或增殖。

  公开号：

  WO2012109423A1

文献信息

• [EN] cGAS ANTAGONIST COMPOUNDS<br/>[FR] COMPOSÉS ANTAGONISTES DU CGAS
  申请人：IMMUNE SENSOR LLC

  公开号：WO2017176812A1

  公开（公告）日：2017-10-12

  Disclosed are novel compounds of Formula (I) that are cGAS antagonists, methods of preparation of the compounds, pharmaceutical compositions comprising the compounds, and their use in medical therapy.

  揭示了一种新型化合物的化学式（I），这些化合物是cGAS拮抗剂，涉及到这些化合物的制备方法、包含这些化合物的药物组合物，以及它们在医学治疗中的应用。
• MORPHOLINOPURINE DERIVATIVES
  申请人：Nakayama Kiyoshi

  公开号：US20100130492A1

  公开（公告）日：2010-05-27

  There is provided a novel compound that inhibits phosphatidylinositol 3-kinase (PI3K) and/or the mammalian target of rapamycin (mTOR) and exhibits anti-tumor activity. The present invention provides a compound represented by the following formula (1) having various substituents that inhibits PI3K and/or mTOR and exhibits anti-tumor activity: wherein R 1 , R 2 , R 3 , R 4 , R a , R b , R c , and X each have the same meaning as defined in the specification.

  提供了一种新型化合物，它抑制磷脂酰肌醇3-激酶（PI3K）和/或哺乳动物雷帕霉素靶蛋白（mTOR），并表现出抗肿瘤活性。本发明提供了一种由以下式（1）表示的化合物，具有各种取代基，可抑制PI3K和/或mTOR，并表现出抗肿瘤活性： 其中R1、R2、R3、R4、Ra、Rb、Rc和X的含义与规范中定义的含义相同。
• [EN] MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF<br/>[FR] CIBLE MÉCANISTE D'INHIBITEURS DE LA VOIE DE SIGNALISATION DE LA RAPAMYCINE ET SES APPLICATIONS THÉRAPEUTIQUES
  申请人：SUZHOU KINTOR PHARMACEUTICALS INC

  公开号：WO2017219800A1

  公开（公告）日：2017-12-28

  Selective mTOR inhibitors of formulas (I)-(III), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from abnormal cell growth, functions, or behaviors mediated by an mTOR kinase and/or one or more PI3K enzyme, are provided. Such diseases and disorder include cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  公式(I)-(III)的选择性mTOR抑制剂，其制备方法，含有它们的药物组合物，以及它们在治疗由mTOR激酶和/或一个或多个PI3K酶介导的异常细胞生长、功能或行为引起的疾病和紊乱中的用途。这些疾病和紊乱包括癌症、免疫紊乱、心血管疾病、病毒感染、炎症、代谢/内分泌功能紊乱和神经系统紊乱。
• [EN] BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA<br/>[FR] COMPOSÉS BICYCLIQUES UTILISÉS COMME MODULATEURS DE ROR-GAMMA
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015035032A1

  公开（公告）日：2015-03-12

  The present invention encompasses compounds of the formula (I): wherein the variables are defined herein which are suitable for the modulation of RORC and the treatment of diseases related to the modulation of RORC. The present invention also encompasses processes of making compounds of formula (I) and pharmaceutical preparations containing them.

  本发明涵盖了式(I)的化合物：其中变量如本文所定义，适用于调节RORC并治疗与调节RORC相关的疾病。本发明还涵盖了制备式(I)化合物的过程以及含有它们的药物制剂。
• [EN] METHOD OF INHIBITING HAMARTOMA TUMOR CELLS<br/>[FR] PROCÉDÉ D'INHIBITION DE CELLULES TUMORALES D'HAMARTOME
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2012109423A1

  公开（公告）日：2012-08-16

  Dimorpholinopyrimidines are useful for inhibiting growth or proliferation of hamartoma tumor cells. Because the Dimorpholinopyrimidines inhibit the growth and proliferation of hamartoma tumor cells they are also useful in treating PTEN hamartoma tumor syndromes. The therapeutic and prophylactic treatments provided by this invention are practiced by administering to a patient in need thereof an amount of a compound of dimorpholinopyrimidine derivative that is effective to inhibit growth or proliferation of the hamartoma tumor cells.

  二咪嗪吡啶是用于抑制错构瘤细胞生长或增殖的有效物质。由于二咪嗪吡啶抑制错构瘤细胞的生长和增殖，因此它们也可用于治疗PTEN错构瘤综合征。该发明提供的治疗和预防治疗方法是通过向需要的患者施用足够量的二咪嗪吡啶衍生物化合物，以有效抑制错构瘤细胞的生长或增殖。