2-氨基-4-溴嘧啶 | 343926-69-2

• 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-4-溴嘧啶
• 中文别名: 4-溴嘧啶-2-胺
• 英文名称: 4-bromopyrimidin-2-amine
• 英文别名: 2-amino-4-bromopyrimidine
• CAS: 343926-69-2
• 化学式: C₄H₄BrN₃
• 分子量: 174.0
• InChiKey: MINURGGJJKMQQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°
• 沸点：
  340.7±34.0 °C(Predicted)
• 密度：
  1.844±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37,S60
• 危险类别码：
  R22,R36/37/38
• 海关编码：
  29335990
• 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-Amino-4-bromopyrimidine
Synonyms:

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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: 2-Amino-4-bromopyrimidine
CAS number: 343926-69-2

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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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C4H4BrN3
Molecular weight: 174.0

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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 bromide.

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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-氨基-4-溴嘧啶 生成 tert-Butyl (4-bromopyrimidin-2-yl)carbamate
  参考文献：
  名称：

  一种用于合成利吡韦林的中间体及其制备方法和该中间体在合成利吡韦林中的应用

  摘要：

  本发明公开了一种用于合成利吡韦林的中间体及其制备方法和该中间体在合成利吡韦林中的应用。所述中间体具有如下化学结构通式： 式中的X为卤素。所述中间体的制备，包括如下合成路线中的步骤③或步骤②～③或步骤①～②～③： 其中：X 1 和X 2 均为卤素，且X 1 和X 2 相同或不同；其中的Pg表示氨基保护基。应用本发明的中间体合成利吡韦林时，只需使用乙腈重结晶，就能得到HPLC纯度达99％以上的利吡韦林终产物，且每步摩尔收率均达到85％以上；而且，所述中间体的制备方法简单，反应条件温和，使用的原料价廉易得，且总摩尔收率能达到85％以上，HPLC纯度达到98.5％以上；能满足利吡韦林的大规模工业化生产需求，具有实用价值。

  公开号：

  CN103183642A
• 作为产物：
  描述：

  异胞嘧啶 在 三溴氧磷 作用下， 反应 2.0h， 以16%的产率得到2-氨基-4-溴嘧啶
  参考文献：
  名称：

  一种2-氨基-4-溴嘧啶的制备方法

  摘要：

  本发明公开了一种2‑氨基‑4‑溴嘧啶的制备方法，以尿嘧啶、三溴氧磷、氨化试剂等为原料，经过两步反应得到目的产物2‑氨基‑4‑溴嘧啶。本发明操作简便、提纯方便、收率高、成本低，适合工业化规模生产。

  公开号：

  CN106632077B

文献信息

• 过渡金属配合物、聚合物、混合物、组合物及有机电子器件
  申请人：广州华睿光电材料有限公司

  公开号：CN110981895B

  公开（公告）日：2023-08-25

  本发明公开了一种过渡金属配合物、聚合物、混合物、组合物及有机电子器件。该过渡金属配合物，具有如化学式(1)所示的结构通式，其合成简单、结构新颖，同时具有较好的稳定性、寿命长，发光性能好，化学式(1)便于实现高效、高亮度、高稳定的OLED器件，对全彩显示和照明应用提供了较好的材料选项。。
• [EN] QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE QUINAZOLINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：FENG YANGBO

  公开号：WO2010056758A1

  公开（公告）日：2010-05-20

  The invention is directed to quinazoline compounds that can inhibit the bioactivity of one or more kinase enzymes, including a Rho kinase, an AKT kinase, a p70S6K kinase, a LIM kinase, an IKK kinase, a Fit kinase, an Aurora kinase, or a Src kinase, or any combination thereof; to methods of use of those compounds; and to methods of preparation of those compounds. The inventive compounds can be used in the treatment of malconditions including cardiovascular disease, neurogenic pain, hypertension, atherosclerosis, angina, stroke, arterial obstruction, peripheral arterial disease, erectile dysfunction, acute and chronic pain, dementia, Alzheimer's disease, Parkinson's disease, neuronal degeneration, asthma, amyotrophic lateral sclerosis, spinal cord injury, rheumatoid arthritis, osteoarthritis, osteoporosis, psoriasis, cerebral vasospasm, open angle glaucoma, multiple sclerosis, pulmonary hypertension, acute respiratory distress syndrome, inflammation, diabetes, urinary organ diseases and benign prostatic hypertrophy (BPH), metastasis, cancer, glaucoma, ocular hypertension, retinopathy, autoimmune disease, viral infection, or myocardial pathology.

  这项发明涉及能够抑制一个或多个激酶酶的生物活性的喹唑啉化合物，包括Rho激酶、AKT激酶、p70S6K激酶、LIM激酶、IKK激酶、Fit激酶、Aurora激酶或Src激酶，或其任意组合；这些化合物的使用方法；以及这些化合物的制备方法。这些创新化合物可用于治疗包括心血管疾病、神经性疼痛、高血压、动脉粥样硬化、心绞痛、中风、动脉阻塞、周围动脉疾病、勃起功能障碍、急性和慢性疼痛、痴呆症、阿尔茨海默病、帕金森病、神经元退化、哮喘、肌萎缩侧索硬化、脊髓损伤、类风湿性关节炎、骨关节炎、骨质疏松症、银屑病、脑血管痉挛、开角型青光眼、多发性硬化、肺动脉高压、急性呼吸窘迫综合征、炎症、糖尿病、泌尿器官疾病和良性前列腺增生（BPH）、转移、癌症、青光眼、眼压增高、视网膜病变、自身免疫疾病、病毒感染或心肌病理的恶性疾病的治疗。
• [EN] SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS<br/>[FR] DÉRIVÉS 4,5,6,7-TÉTRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE SUBSTITUÉS ET DÉRIVÉS 5,6,7,8-TÉTRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZÉPINE UTILISÉS COMME INHIBITEURS DE ROS1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015144799A1

  公开（公告）日：2015-10-01

  The present invention relates to substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives of formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as ROS 1 inhibitors. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及取代的4,5,6,7-四氢吡唑并[1,5-a]吡嗪衍生物和5,6,7,8-四氢-4H-吡唑并[1,5-a][1,4]二氮杂环衍生物的公式(I)中的变量具有权利要求中定义的含义。根据本发明的化合物可用作ROS 1抑制剂。本发明还涉及制备这种新化合物的方法，包含所述化合物作为活性成分的药物组合物，以及将所述化合物用作药物的用途。
• <i>N</i>-Leucinyl Benzenesulfonamides as Structurally Simplified Leucyl-tRNA Synthetase Inhibitors
  作者：Michael H. Charlton、Rihards Aleksis、Adélaïde Saint-Leger、Arya Gupta、Einars Loza、Lluís Ribas de Pouplana、Ilze Kaula、Daina Gustina、Marina Madre、Daina Lola、Kristaps Jaudzems、Grace Edmund、Christopher P. Randall、Louise Kime、Alex J. O’Neill、Wil Goessens、Aigars Jirgensons、Paul W. Finn

  DOI：10.1021/acsmedchemlett.7b00374

  日期：2018.2.8

  Enzymatic assays revealed that N-leucinyl benzenesulfonamides display remarkable selectivity for E. coli leucyl-tRNA synthetase compared to S. aureus and human orthologues. The simplest analogue of the series, N-leucinyl benzenesulfonamide (R = H), showed the highest affinity against E. coli leucyl-tRNA synthetase and also exhibited antibacterial activity against Gram-negative pathogens (the best MIC = 8 μg/mL

  已发现N-亮氨酰苯磺酰胺是一类新型的大肠杆菌亮氨酰-tRNA合成酶的有效抑制剂。抑制剂与酶的结合通过使用等温滴定热法来测量。这提供了关于焓和熵对结合的贡献的信息，这些信息与对接研究一起用于结构-活性关系分析。酶法测定显示，与金黄色葡萄球菌和人类直系同源物相比，N-亮氨酰苯磺酰胺对大肠杆菌亮氨酰-tRNA合成酶显示出显着的选择性。该系列中最简单的类似物N-亮氨酰苯磺酰胺（R = H）对大肠杆菌表现出最高的亲和力亮氨酰tRNA合成酶，并且还显示出对革兰氏阴性病原体的抗菌活性（最佳MIC = 8μg/ mL，大肠杆菌ATCC 25922），这使其成为抗菌药物发现的有希望的模板。
• [EN] PRMT5 INHIBITORS<br/>[FR] INHIBITEURS DE PRMT5
  申请人：MERCK SHARP & DOHME

  公开号：WO2021126728A1

  公开（公告）日：2021-06-24

  The present invention provides a compound of Formula (I) and the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are PRMT5 inhibitors. Also provided are methods of making compounds of Formula I, pharmaceutical compositions comprising compounds of Formula I, and methods of using these compounds to treat cancer, sickle cell, and hereditary persistence of foetal hemoglobin (HPFH) mutations.

  本发明提供了一种式（I）的化合物及其药用可接受的盐、酯和前药，这些化合物是PRMT5抑制剂。还提供了制备式I化合物的方法，包括含有式I化合物的药物组合物，以及使用这些化合物治疗癌症、镰状细胞贫血和遗传性胎儿血红蛋白（HPFH）突变的方法。