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2-Amino-5-bromo-4-methylbenzoic acid is a chemical compound with the molecular formula C8H8BrNO2. It is a derivative of benzoic acid, characterized by a 5-bromo substitution and a 4-methyl group. This white to off-white crystalline powder is sparingly soluble in water and is commonly used in organic synthesis and pharmaceutical research due to its potential bioactive properties.

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  • 106976-24-3 Structure
  • Basic information

    1. Product Name: 2-AMino-5-broMo-4-Methylbenzoic acid
    2. Synonyms: 2-AMino-5-broMo-4-Methylbenzoic acid;5-bromo-4-methylanthranilic acid
    3. CAS NO:106976-24-3
    4. Molecular Formula: C8H8BrNO2
    5. Molecular Weight: 230.05862
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 106976-24-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 359.8±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.682±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 4.72±0.10(Predicted)
    10. CAS DataBase Reference: 2-AMino-5-broMo-4-Methylbenzoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-AMino-5-broMo-4-Methylbenzoic acid(106976-24-3)
    12. EPA Substance Registry System: 2-AMino-5-broMo-4-Methylbenzoic acid(106976-24-3)
  • 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: 106976-24-3(Hazardous Substances Data)

106976-24-3 Usage

Uses

Used in Pharmaceutical Research:
2-Amino-5-bromo-4-methylbenzoic acid is used as a building block for the synthesis of more complex molecules, particularly in the development of new drugs. Its unique structure and potential bioactive properties make it a valuable compound for creating innovative pharmaceutical agents.
Used in Organic Synthesis:
In the field of organic synthesis, 2-Amino-5-bromo-4-methylbenzoic acid serves as a reagent in various chemical reactions. Its versatility and reactivity contribute to the synthesis of a wide range of organic compounds, further expanding its applications in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 106976-24-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,6,9,7 and 6 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 106976-24:
(8*1)+(7*0)+(6*6)+(5*9)+(4*7)+(3*6)+(2*2)+(1*4)=143
143 % 10 = 3
So 106976-24-3 is a valid CAS Registry Number.

106976-24-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-amino-5-bromo-4-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid,2-amino-5-bromo-4-methyl

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:106976-24-3 SDS

106976-24-3Relevant articles and documents

DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY

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Page/Page column 147, (2019/11/12)

Provided herein are compounds of the Formula (I), (II), and (III), as well as pharmaceutically acceptable salts thereof, wherein the substituents are those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of oncologic diseases.

HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS

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Paragraph 0262, (2018/11/22)

The present invention aims to provide a compound that may be useful for the prophylaxis or treatment of constipation and the like. The present invention provides a compound represented by the following formula (I) : wherein each symbol is as described in the specification, salt thereof.

Novel Fused Arylpyrimidinone Based Allosteric Modulators of the M1 Muscarinic Acetylcholine Receptor

Mistry, Shailesh N.,Lim, Herman,J?rg, Manuela,Capuano, Ben,Christopoulos, Arthur,Lane, J. Robert,Scammells, Peter J.

, p. 647 - 661 (2016/06/01)

Benzoquinazolinone 1 is a positive allosteric modulator (PAM) of the M1 muscarinic acetylcholine receptor (mAChR), which is significantly more potent than the prototypical PAM, 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (BQCA). In this study, we explored the structural determinants that underlie the activity of 1 as a PAM of the M1 mAChR. We paid particular attention to the importance of the tricyclic scaffold of compound 1, for the activity of the molecule. Complete deletion of the peripheral fused benzene ring caused a significant decrease in affinity and binding cooperativity with acetylcholine (ACh). This loss of affinity was rescued with the addition of either one or two methyl groups in the 7- and/or 8-position of the quinazolin-4(3H)-one core. These results demonstrate that the tricyclic benzo[h]quinazolin-4(3H)-one core could be replaced with a quinazolin-4(3H)-one core and maintain functional affinity. As such, the quinazolin-4(3H)-one core represents a novel scaffold to further explore M1 mAChR PAMs with improved physicochemical properties.

QUINAZOLINEDIONE DERIVATIVE

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Paragraph 0246; 0330; 0331, (2015/03/16)

The present invention relates to quinazolinedione derivatives represented by formula (I) or pharmaceutically acceptable salts thereof.

Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof

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Page/Page column 74, (2009/04/24)

Substituted 4-amino-quinazoline compounds corresponding to formula I methods for their production, pharmaceutical compositions containing these compounds as active agents, and the uses thereof for treating or inhibiting disorders or disease states.

Potential Antitumor Agents. 59. Structure-Activity Relationships for 2-Phenylbenzimidazole-4-carboxamides, a New Class of "Minimal" DNA-Intercalating Agents Which May Not Act via Topoisomerase II

Denny, William A.,Rewcastle, Gordon W.,Baguley, Bruce C.

, p. 814 - 819 (2007/10/02)

A series of substituted 2-phenylbenzimidazole-4-carboxamides has been synthesized and evaluated for in vitro and in vivo antitumor activity.These compounds represent the logical conclusion to our search for "minimal" DNA-intercalating agents with the lowest possible DNA-binding constants.Such "2-1" tricyclic chromophores, of lower aromaticity than the structurally similar 2-phenylquinolines, have the lowest DNA binding affinity yet seen in the broad series of tricyclic carboxamide intercalating agents.Despite very low in vitro cytotoxicities, several of the compoundshad moderate levels of in vivo antileukemic effects.However, the most interesting aspect of their biological activity was the lack of cross-resistance shown to an amsacrine-resistant P388 cell line, suggesting that these compounds may not express their cytotoxicity via interaction with topoisomerase II.

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