2-氨基-4-氟-苯甲酰胺 | 119023-25-5

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯胺系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-4-氟-苯甲酰胺
• 中文别名: 4-氟-2-氨基苯甲酰胺；2-氨基-4-氟苯甲酰胺
• 英文名称: 2-amino-4-fluorobenzamide
• 英文别名: 4-fluoroanthranilamide
• CAS: 119023-25-5
• 化学式: C₇H₇FN₂O
• 分子量: 154.144
• InChiKey: OAQNMGCVLKKYJF-UHFFFAOYSA-N

物化性质

• 熔点：
  132 °C(Solv: benzene (71-43-2))
• 沸点：
  270.8±25.0 °C(Predicted)
• 密度：
  1.344±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4-fluorobenzamide
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-fluorobenzamide
CAS number: 119023-25-5

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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.
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: C7H7FN2O
Molecular weight: 154.1

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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 fluoride.

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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-氟-苯甲酰胺 在 phosphorus pentoxide 作用下， 以 甲苯 为溶剂， 反应 15.0h， 生成 2-氨基-4-氟苯腈
  参考文献：
  名称：

  可能在阿尔茨海默氏病中潜在使用的乙酰胆碱酯酶抑制剂：11H-茚基-[1,2-b]-喹啉-10-基胺衍生物的分子建模，合成和动力学评估。

  摘要：

  继续我们对四环他克林类似物的研究，我们合成了一系列11H-茚基-[1,2-b]-喹啉-10-基酰胺基结构的乙酰胆碱酯酶（AChE）抑制剂。为了研究这类抗胆碱酯酶的结构活性关系（SAR）和作用方式，将选定的取代基置于四环核的合成位置上。对铅化合物（1a）与AChE活性位点的结合相互作用进行了分子模型研究，结果表明，尽管1a相当宽且刚性的结构，仍可能引入一些小的取代基在四环的某些位置。但是，通过检查实验性IC50值，结果表明，茚并喹啉核可能代表了与AChE结合的刚性化合物的最大允许分子大小。实际上，仅第2位的氟原子保持了母体化合物的AChE抑制能力，并且实际上增加了相对于丁酰胆碱酯酶抑制作用的AChE选择性。通过研究该系列中两种代表性化合物对AChE的抑制动力学，结果表明，先导化合物（1a）表现出对混合型的抑制，与活性位点和外围位点结合，而空间位阻较大的类似物2n似乎对仅在酶的外部结合位点相互

  DOI：

  10.1016/s0968-0896(99)00306-5
• 作为产物：
  描述：

  4-氟-2-硝基苯甲酰氯 在 platinum(IV) oxide ammonium hydroxide 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 生成 2-氨基-4-氟-苯甲酰胺
  参考文献：
  名称：

  4-喹唑啉酮衍生物的合成和组胺H2-拮抗剂活性。

  摘要：

  为了开发新的抗溃疡药物，合成了一系列4-喹唑啉酮衍生物，并测试了其组胺H2拮抗剂活性和胃抗分泌活性。因此，合成了2-烷基氨基（8a-d，10a-s）、2-烷基硫基（15）以及2-烷基-4-喹唑啉酮（18a-k），其方法分别是将烷基胺与2-氯或2-甲硫基-4-喹唑啉酮缩合、将烷基溴化物与2-巯基-4-喹唑啉酮缩合，以及将烷基羧酸与氨基苯甲酸酰胺缩合。合成的几种4-喹唑啉酮衍生物显示出强效的H2拮抗剂活性，其中一种2-[3-[3-(1-哌啶基甲基)苯氧]丙氨基]-4(3H)-喹唑啉酮（8d）表现出最强的抗分泌活性。讨论了结构-活性关系。

  DOI：

  10.1248/cpb.36.2955

文献信息

• Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position
  申请人：FRORMANN Sven

  公开号：US20080293749A1

  公开（公告）日：2008-11-27

  Pyrrolidine(thi)one compounds substituted by heterocyclic substituents in the 3-position, their preparation and use in pharmaceutical compositions, in particular as immunomodulators for treatment and/or inhibition of inflammatory and autoimmune diseases and haematological-oncological diseases.

  吡咯烷(硫)酮化合物在3位被杂环取代基取代，它们的制备和在制药组合物中的用途，特别是作为免疫调节剂用于治疗和/或抑制炎症性和自身免疫疾病以及血液肿瘤性疾病。
• [EN] NOVEL ANTI-INFLAMMATORY AGENTS<br/>[FR] NOUVEAUX AGENTS ANTI-INFLAMMATOIRES
  申请人：RESVERLOGIX CORP

  公开号：WO2010123975A1

  公开（公告）日：2010-10-28

  Disclosed are methods of regulating interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1) and methods of treating and/or preventing cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s) by administering a naturally occurring or synthetic quinazolone derivative. The invention provides novel synthetic quinazolone compounds, as well as pharmaceutical compositions comprising those compounds.

  揭示了调节白细胞介素-6（IL-6）和/或血管细胞粘附分子-1（VCAM-1）的方法，以及治疗和/或预防心血管和炎症性疾病及相关疾病状态的方法，例如动脉粥样硬化、哮喘、关节炎、癌症、多发性硬化、牛皮癣和炎症性肠病以及自身免疫疾病，通过给予天然存在或合成的喹唑啉衍生物。该发明提供了新颖的合成喹唑啉化合物，以及包含这些化合物的药物组合物。
• QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Hadd Michael J.

  公开号：US20120053174A1

  公开（公告）日：2012-03-01

  Provided herein are quinazoline compounds for treatment of JAK kinase mediated diseases, including JAK2 kinase-, JAK3 kinase- or TYK2 kinase-mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了喹唑啉化合物，用于治疗JAK激酶介导的疾病，包括JAK2激酶、JAK3激酶或TYK2激酶介导的疾病。还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• Identification of Inhibitors of Cholesterol Transport Proteins Through the Synthesis of a Diverse, Sterol‐Inspired Compound Collection
  作者：Thomas Whitmarsh‐Everiss、Asger Hegelund Olsen、Luca Laraia

  DOI：10.1002/anie.202111639

  日期：2021.12.13

  A general strategy for the identification of selective cholesterol transport protein inhibitors through the synthesis of a diverse sterol-inspired compound collection is presented. Fusion of a primary sterol scaffold to diverse secondary natural product-derived scaffolds afforded hits against all of the Aster family of cholesterol transport proteins and selective inhibitors of Aster-C.

  介绍了通过合成多种甾醇化合物集合来鉴定选择性胆固醇转运蛋白抑制剂的一般策略。初级甾醇支架与多种次级天然产物衍生支架的融合提供了针对胆固醇转运蛋白的所有 Aster 家族和 Aster-C 的选择性抑制剂的攻击。
• [EN] 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 2-[(2-{PHÉNYLAMINO}-1H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]BENZAMIDE EN TANT QU'INHIBITEUR D'IGF-1R POUR LE TRAITEMENT DU CANCER
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009020990A1

  公开（公告）日：2009-02-12

  Novel pyrrolopyrimidines as shown in formula (I) and pharmaceutically acceptable derivatives thereof. The compounds are useful in the inhibition of IGF-1R.

  新型吡咯吡嘧啶如公式(I)所示，及其药用可接受的衍生物。这些化合物在抑制IGF-1R方面是有用的。