4-氨基-2-氯嘧啶-5-甲酸乙酯 | 71406-78-5

• 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-氨基-2-氯嘧啶-5-甲酸乙酯
• 中文别名: 2-氯-4-氨基-5-嘧啶甲酸乙酯；4-氨基-2-氯嘧啶-5-羧酸乙酯；乙基4-氨基-2-氯嘧啶-5-羧酸酯
• 英文名称: ethyl 4-amino-2-chloropyrimidine-5-carboxylate
• CAS: 71406-78-5
• 化学式: C₇H₈ClN₃O₂
• 分子量: 201.612
• InChiKey: FZRLBTIPZJXREW-UHFFFAOYSA-N

物化性质

• 熔点：
  156℃
• 沸点：
  377℃
• 密度：
  1.395
• 闪点：
  182℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 4-amino-2-chloropyrimidine-5-carboxylate
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: Ethyl 4-amino-2-chloropyrimidine-5-carboxylate
CAS number: 71406-78-5

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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.
Store in closed vessels, refrigerated.
Storage:

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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
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H8ClN3O2
Molecular weight: 201.6

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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 chloride.

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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：

  4-氨基-2-氯嘧啶-5-甲酸乙酯 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 4-氨基-2-氯嘧啶-5-羧酸
  参考文献：
  名称：

  [EN] PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER
  [FR] DÉRIVÉS DE PYRIMIDINE ET LEUR UTILISATION POUR LE TRAITEMENT DU CANCER

  摘要：

  通式（I）的化合物：（式（I））其中R1、R2、X1和X2如本文所定义，对于治疗癌症，特别是固体肿瘤是有用的。

  公开号：

  WO2019122932A1
• 作为产物：
  描述：

  2,4-二氯-5-嘧啶甲酸乙酯 在 氨 作用下， 生成 4-氨基-2-氯嘧啶-5-甲酸乙酯
  参考文献：
  名称：

  Human Caliciviruses Are a Significant Pathogen of Acute Sporadic Diarrhea in Children of Santiago, Chile

  摘要：

  人杯状病毒（HuCVs）作为一种常见的病原体，导致儿童急性散发性腹泻的作用日益受到重视；然而，其抗原性和遗传学的区域多样性复杂化了检测技术。本研究采用逆转录-聚合酶链反应，以基于先前智利分离株的聚合酶区域保守序列设计的引物，对两所门诊诊所、一家大型急诊科和两家医院病房中因病就诊的儿童粪便样本进行了HuCVs检测。在684名1个月至5岁的儿童中（平均年龄13个月），有53名（8%）检出HuCVs。检测全年均有发生，无明显季节高峰，且检出频率从1997年的16%下降至1999年的2%。这种下降可能归因于病毒基因型的改变。HuCVs是智利儿童急性散发性腹泻的重要病原体，而持续对遗传多样性进行表征对于正确检测至关重要。

  DOI：

  10.1086/315874

文献信息

• [EN] METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS<br/>[FR] MÉTHODES DE RETARDEMENT, DE PRÉVENTION ET DE TRAITEMENT DE LA RÉSISTANCE ACQUISE AUX INHIBITEURS DE RAS
  申请人：REVOLUTION MEDICINES INC

  公开号：WO2021257736A1

  公开（公告）日：2021-12-23

  The present disclosure relates to compositions and methods for the treatment of diseases or disorders (e.g., cancer) with bi-steric inhibitors of mTOR in combination with RAS inhibitors. Specifically, in some embodiments this disclosure includes compositions and methods for inducing apoptosis of tumor cells and/or for delaying, preventing, or treating acquired resistance to RAS inhibitors using bi-steric mTOR inhibitors.

  本公开涉及使用双-立体异构体mTOR抑制剂与RAS抑制剂联合治疗疾病或病状（例如，癌症）的配方和方法。具体而言，在某些实施方式中，本公开包括用于诱导肿瘤细胞凋亡和/或用于延迟、预防或治疗对RAS抑制剂获得性耐药性的双-立体异构体mTOR抑制剂的配方和方法。
• [EN] AMINO-TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS AMINO-TRIAZOLOPYRIDINE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2018114999A1

  公开（公告）日：2018-06-28

  The specification generally relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof, where R1 and R2 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent DNA-PK mediated disease, including cancer. The specification further relates to pharmaceutical compositions comprising such compounds and salts; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; intermediates useful in the manufacture of such compounds and salts; and to methods of treating DNA-PK mediated disease, including cancer, using such compounds and salts.

  该规范通常涉及公式(I)的化合物及其药用盐，其中R1和R2具有本规范中定义的任何含义。该规范还涉及使用这些化合物和其盐来治疗或预防DNA-PK介导的疾病，包括癌症。该规范进一步涉及包括这些化合物和盐的制药组合物；包含这些化合物和盐的试剂盒；制造这些化合物和盐的方法；制造这些化合物和盐的中间体；以及使用这些化合物和盐来治疗DNA-PK介导的疾病，包括癌症的方法。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Castro Alfredo C.

  公开号：US20130029982A1

  公开（公告）日：2013-01-31

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本文描述了调节激酶活性（包括PI3激酶活性）的化合物和药物组合物，以及治疗与激酶活性（包括PI3激酶活性）相关的疾病和病情的化合物、药物组合物和治疗方法。
• INHIBITORS OF PROTEIN KINASES
  申请人：PORTOLA PHARMACEUTICALS, INC.

  公开号：US20150094298A1

  公开（公告）日：2015-04-02

  The present invention is directed to compounds of formula I-II and pharmaceutically acceptable tautomers, salts, or stereoisomers thereof which are inhibitors of syk and/or JAK kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk and/or JAK kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk and/or JAK kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及公式I-II的化合物及其药学上可接受的互变异构体、盐或立体异构体，它们是syk和/或JAK激酶的抑制剂。本发明还涉及用于制备这种化合物的中间体，制备这种化合物的方法，含有这种化合物的药物组合物，抑制syk和/或JAK激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由syk和/或JAK激酶活性介导的多种疾病，例如不良血栓形成和非霍奇金淋巴瘤的方法。
• [EN] HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILES EN TANT QU'INHIBITEURS DE HPK1
  申请人：SILEXON BIOTECH CO LTD

  公开号：WO2022253252A1

  公开（公告）日：2022-12-08

  Disclosed herein are compounds of Formula (I) : or pharmaceutically acceptable salts thereof. Also disclosed are methods of using such compounds to modulate or inhibit the enzymatic activity of hematopoietic progenitor kinase (HPK1), and pharmaceutical compositions comprising such compounds. These compounds are useful in the treatment of ΗΡK1-associateddiseases or disorders, e.g. viral infections and cancers.

  本文揭示了以下式（I）的化合物或其药学上可接受的盐。还揭示了使用这些化合物来调节或抑制造血祖细胞激酶（HPK1）的酶活性的方法，以及包含这些化合物的制药组合物。这些化合物在治疗与HPK1相关的疾病或疾病中有用，例如病毒感染和癌症。