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2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID is a complex organic chemical compound characterized by a benzene ring with three substituents: an amino group (-NH2), a bromo group (-Br), and a methoxy group (-OCH3) at positions 2, 5, and 3 respectively, along with a carboxylic acid group (-COOH). Its molecular formula is C8H8BrNO3. The presence of these functional groups suggests that the compound may exhibit unique reactivity and could be involved in various chemical reactions or serve as an intermediate in the synthesis of more complex substances. The bromo group, in particular, may facilitate reactions such as halogen exchange or nucleophilic substitution. As it is not a standard or common chemical, detailed information on its properties and potential uses may require extensive research or experimentation.

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  • 864293-44-7 Structure
  • Basic information

    1. Product Name: 2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID
    2. Synonyms: 2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID;2-AMino-5-broMo-3-Methoxybenzoic;2-Amino-5-bromo-3-(methyloxy)benzoic acid
    3. CAS NO:864293-44-7
    4. Molecular Formula: C8H8BrNO3
    5. Molecular Weight: 246.07
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 864293-44-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 356.043°C at 760 mmHg
    3. Flash Point: 169.129°C
    4. Appearance: /
    5. Density: 1.704g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.636
    8. Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 4.43±0.10(Predicted)
    11. CAS DataBase Reference: 2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID(864293-44-7)
    13. EPA Substance Registry System: 2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID(864293-44-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 864293-44-7(Hazardous Substances Data)

864293-44-7 Usage

Uses

Used in Chemical Synthesis:
2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID is used as a chemical intermediate for the synthesis of more complex organic compounds. Its unique functional groups, including the amino, bromo, and methoxy groups, as well as the carboxylic acid, make it a versatile building block in the preparation of various chemical products.
Used in Pharmaceutical Research:
2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID is used as a research compound in the development of new pharmaceuticals. Its structural features may provide insights into the design of novel drug candidates, particularly in the context of medicinal chemistry, where understanding the reactivity and interactions of functional groups is crucial for creating effective therapeutic agents.
Used in Material Science:
2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID is used as a component in the development of new materials, such as polymers or composites, where its functional groups may contribute to the desired properties of the final product. 2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID's reactivity and potential for cross-linking or other chemical interactions could be harnessed to create materials with specific characteristics for various applications.
Used in Analytical Chemistry:
2-AMINO-5-BROMO-3-METHOXYBENZOIC ACID is used as a reference compound or standard in analytical chemistry, particularly in techniques such as chromatography or spectroscopy. Its distinct chemical properties may be utilized to calibrate instruments or validate analytical methods, ensuring accurate and reliable results in chemical analysis.

Check Digit Verification of cas no

The CAS Registry Mumber 864293-44-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,4,2,9 and 3 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 864293-44:
(8*8)+(7*6)+(6*4)+(5*2)+(4*9)+(3*3)+(2*4)+(1*4)=197
197 % 10 = 7
So 864293-44-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H8BrNO3/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)

864293-44-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Amino-5-bromo-3-methoxybenzoic acid

1.2 Other means of identification

Product number -
Other names 2-AMINO-5-BROMO-3-METHOXY-BENZOIC ACID HBR SALT

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:864293-44-7 SDS

864293-44-7Relevant articles and documents

Preparation method of 2-amino-3-methoxy-5-bromobenzonitrile

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Paragraph 0032; 0042-0043; 0052; 0062-0063; 0070; 0080-0081, (2021/02/10)

The invention discloses a preparation method of 2-amino-3-methoxy-5-bromobenzonitrile. The method comprises the following steps: (1) reacting a compound (II) with sodium methoxide to generate a compound (III); (2) carrying out reduction treatment on the compound (III) to obtain a compound (IV); (3) reacting the compound (IV) with trichloroacetaldehyde hydrate and hydroxylamine hydrochloride to generate a compound (V); (4) reacting the compound (V) with concentrated sulfuric acid to generate a compound (VI); (5) preparing a compound (VII) from the compound (VI) under the conditions of hydrogenperoxide and sodium hydroxide; (6) reacting the compound (VII) with acyl chloride to generate a compound (VIII); (7) reacting the compound (VIII) with ammonia water to generate a compound (IX); and (8) reacting the compound (IX) in the presence of phosphorus pentoxide to generate 2-amino-3-methoxy-5-bromobenzonitrile. The preparation method provided by the invention is higher in yield.

4-ARYLQUINAZOLINE DERIVATIVES AS INHIBITORS OF METHIONINE ADENOSYLTRANSFERASE 2A

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Paragraph 0261, (2021/12/31)

The invention relates to certain derivatives of 4-arylquinazoline formula (I) which are inhibitors of methionine adenosyltransferase 2A (MAT2A). The invention also relates to pharmaceutical compositions comprising such compounds and methods of treating diseases that can be treated by inhibition of MAT2A such as cancer, including cancers characterized by reduced or no activity of methylthioadenosine phosphorylase (MTAP).

QUINAZOLINE COMPOUND AND PREPARATION METHOD, APPLICATION, AND PHARMACEUTICAL COMPOSTION THEREOF

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Paragraph 0084; 0085, (2019/11/14)

The invention relates to quinazoline compounds, the preparation method, use, and the pharmaceutical composition thereof. The said quinazoline compounds, which are represented by Formula (I), are phosphatidylinositol 3-kinase (PI3K) inhibitors, and can be applied to prevent and/or treat PI3K activity-related diseases, such as cancer, immune diseases, cardiovascular diseases, viral infections, inflammation, metabolism/endocrine function disorders or neurological diseases.

Discovery and Optimization of 2-Amino-4-methylquinazoline Derivatives as Highly Potent Phosphatidylinositol 3-Kinase Inhibitors for Cancer Treatment

Lin, Songwen,Wang, Chunyang,Ji, Ming,Wu, Deyu,Lv, Yuanhao,Zhang, Kehui,Dong, Yi,Jin, Jing,Chen, Jiajing,Zhang, Jingbo,Sheng, Li,Li, Yan,Chen, Xiaoguang,Xu, Heng

, p. 6087 - 6109 (2018/07/05)

Increased phosphatidylinositol 3-kinase (PI3K) signaling is among the most common alterations in cancer, spurring intensive efforts to develop new cancer therapeutics that target this pathway. In this work, we discovered a series of novel 2-amino-4-methylquinazoline derivatives through a hybridization and subsequent scaffold hopping approach that were highly potent class I PI3K inhibitors. Lead optimization resulted in several promising compounds (e.g., 19, 20, 37, and 43) with nanomolar PI3K potencies, prominent antiproliferative activities, favorable PK profiles, and robust in vivo antitumor efficacies. More interestingly, compared with 19 and 20, 37 and 43 demonstrated improved brain penetration and in vivo efficacy in an orthotopic glioblastoma xenograft model. Furthermore, preliminary safety assessments including hERG channel inhibition, AMES, CYP450 inhibition, and single-dose toxicity were performed to characterize their toxicological properties.

CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS

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Paragraph 0288; 0411, (2018/03/09)

Chemical entities that are kinase inhibitors, pharmaceutical compositions and methods of treatment of cancer are described.

COMBINATION THERAPIES FOR TREATMENT OF CANCER

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Paragraph 303; 304, (2016/04/09)

Combination therapies for treatment of cancers associated with mutations in the KRAS gene are provided. Compositions comprising therapeutic agents for treatment of cancers associated with mutations in the KRAS gene are also provided.

Discovery, synthesis, and biological evaluation of thiazoloquin(az)olin(on)es as potent CD38 inhibitors

Haffner, Curt D.,Becherer, J. David,Boros, Eric E.,Cadilla, Rodolfo,Carpenter, Tiffany,Cowan, David,Deaton, David N.,Guo, Yu,Harrington, Wallace,Henke, Brad R.,Jeune, Michael R.,Kaldor, Istvan,Milliken, Naphtali,Petrov, Kim G.,Preugschat, Frank,Schulte, Christie,Shearer, Barry G.,Shearer, Todd,Smalley, Terrence L.,Stewart, Eugene L.,Stuart, J. Darren,Ulrich, John C.

, p. 3548 - 3571 (2015/05/05)

A series of thiazoloquin(az)olinones were synthesized and found to have potent inhibitory activity against CD38. Several of these compounds were also shown to have good pharmacokinetic properties and demonstrated the ability to elevate NAD levels in plasm

COVALENT INHIBITORS OF KRAS G12C

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Paragraph 0511, (2014/09/30)

Irreversible inhibitors of G12C mutant K-Ras protein are provided. Also disclosed are methods to modulate the activity of G12C mutant K-Ras protein and methods of treatment of disorders mediated by G12C mutant K-Ras protein.

NEW CHEMICAL COMPOUNDS

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Page/Page column 78, (2010/04/03)

The present invention encompasses compounds of general formula (1) while the groups R4 to R7 and the units W, L, Qa and QH are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

NEW CHEMICAL COMPOUNDS

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Page/Page column 112, (2010/04/03)

The present invention encompasses compounds of general formula (1) wherein the units W, A, L, Q1 and QH are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

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