2-氨基-4-溴-5-氯苯甲酸 | 150812-32-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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-溴-5-氯苯甲酸
• 中文别名: 4-溴-5-氯邻氨基苯甲酸
• 英文名称: 2-amino-4-bromo-5-chlorobenzoic acid
• CAS: 150812-32-1
• 化学式: C₇H₅BrClNO₂
• 分子量: 250.479
• InChiKey: QLUCPCIKLHKGRW-UHFFFAOYSA-N

物化性质

• 熔点：
  219-222°C
• 沸点：
  385.7±42.0 °C(Predicted)
• 密度：
  1.892
• 溶解度：
  可溶于二甲基亚砜、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 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：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 储存条件：
  应将样品存于室温、避光且保存在惰性气体中的环境。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4-bromo-5-chlorobenzoic acid
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-bromo-5-chlorobenzoic acid
CAS number: 150812-32-1

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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: C7H5BrClNO2
Molecular weight: 250.5

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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, 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-5-氯苯甲酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.58h， 生成 (2-amino-4-bromo-5-chlorophenyl)methanol
  参考文献：
  名称：

  [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES
  [FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES

  摘要：

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。

  公开号：

  WO2021247969A1
• 作为产物：
  描述：

  3-氯甲苯 在 吡啶 、 copper(I) oxide 、 iron(III) chloride 、 potassium permanganate 、 氨 、 溴 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.5h， 生成 2-氨基-4-溴-5-氯苯甲酸
  参考文献：
  名称：

  高效抗球虫药物卤夫酮氢溴酸盐的新合成

  摘要：

  背景：Halofuginone hydrobromide (1) 被认为是一种有效的药物，可以对抗家禽中的几种艾美球虫 (E.)。在本文中，我们描述了一种方便且低成本的化合物制备方法，以及对其活性的初步验证。方法：首先以间氯甲苯为原料，采用常规工艺制备7-溴-6-氯喹唑啉-4(3H)-一(2)，然后创造性地分两步引入氯丙酮。最后，由7-bromo-6-chloro-3-(3-cholroacetonyl) quinazolin-4(3H)-one(4)通过缩合、环化、脱保护和脱保护等四步反应得到卤夫酮氢溴酸盐(1)。异构化。相关中间体和目标化合物的结构经熔点、红外、质谱和1H-NMR表征。除了，分别通过降低死亡率、体重减轻、粪便卵囊排泄和肠道病理，评估了添加化合物 1 的鸡日粮以 6、3 和 1.5 mg/1 kg 的剂量对感染 E.tenella 的鸡的保护作用。结果：在传统研究的基础上

  DOI：

  10.3390/molecules22071086

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• [EN] INHIBITORS OF KRAS G12C<br/>[FR] INHIBITEURS DE K-RAS G12C
  申请人：ARAXES PHARMA LLC

  公开号：WO2015054572A1

  公开（公告）日：2015-04-16

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, prodrug or stereoisomer thereof, wherein R1, R2a, R3a, R3b, R4a, R4b, G1, G2, L1, L2, m1, m2, A, B, W, X, Y, Z and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了作为G12C突变KRAS蛋白抑制剂活性的化合物。这些化合物具有以下结构（I）：或其药用可接受的盐、互变异构体、前药或立体异构体，其中R1、R2a、R3a、R3b、R4a、R4b、G1、G2、L1、L2、m1、m2、A、B、W、X、Y、Z和E如本文所定义。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及调节G12C突变KRAS蛋白活性以治疗癌症等疾病的方法。
• INDOLE CARBOXAMIDE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160115126A1

  公开（公告）日：2016-04-28

  Disclosed are compounds of Formula (I): or a salt thereof, wherein: X is CR 4 or N; R 1 , R 2 , R 3 , R 4 , and A are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bruton's tyrosine kinase (Btk), and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物： 或其盐，其中：X为CR 4 或N；R 1 ，R 2 ，R 3 ，R 4 和A在此处定义。还揭示了使用这些化合物作为Bruton's酪氨酸激酶（Btk）抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓各种治疗领域的疾病或疾病的进展方面非常有用，如自身免疫疾病和血管疾病。
• CHEMICAL COMPOUNDS
  申请人：ASTRAZENECA AB

  公开号：US20190177338A1

  公开（公告）日：2019-06-13

  The specification relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof. The specification also relates to processes and intermediates used for their preparation, pharmaceutical compositions containing them and their use in the treatment of cell proliferative disorders.

  该规范涉及到式（I）的化合物及其药用盐。该规范还涉及用于它们制备的过程和中间体，含有它们的药物组合物以及它们在治疗细胞增殖性疾病中的用途。
• Novel SAR for quinazoline inhibitors of EHMT1 and EHMT2
  作者：Ruben Leenders、Remco Zijlmans、Bart van Bree、Marc van de Sande、Federica Trivarelli、Eddy Damen、Anita Wegert、Daniel Müller、Jan Erik Ehlert、Daniel Feger、Carolin Heidemann-Dinger、Michael Kubbutat、Christoph Schächtele、Danny C. Lenstra、Jasmin Mecinović、Gerhard Müller

  DOI：10.1016/j.bmcl.2019.06.012

  日期：2019.9

  structure activity relationship of two series of quinazoline EHMT1/EHMT2 inhibitors (UNC0224 and UNC0638) have been elaborated. New and active alternatives are presented for the ubiquitous substitution patterns found in literature for the linker to the lysine mimicking region and the lysine mimic itself. These findings could allow for advancing EHMT1/EHMT2 inhibitors of that type beyond tool compounds by fine-tuning

  阐述了两种系列的喹唑啉EHMT1 / EHMT2抑制剂（UNC0224和UNC0638）的详细结构活性关系。针对赖氨酸模拟区域和赖氨酸模拟物本身的连接子，在文献中发现了普遍存​​在的替代模式，提出了新的有效替代方法。这些发现可通过微调理化特性使这些抑制剂更像药物，从而使该类型的EHMT1 / EHMT2抑制剂超越工具化合物。 。