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4-Bromo-5-methoxy-2-nitroaniline is an organic compound that serves as a crucial intermediate in the synthesis of various chemical compounds, particularly benzimidazoles. It is characterized by its molecular structure, which includes a nitro group, a bromo group, and a methoxy group attached to an aniline base. 4-Bromo-5-methoxy-2-nitroaniline is known for its potential applications in the pharmaceutical and chemical industries due to its unique properties and reactivity.

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  • 173312-36-2 Structure
  • Basic information

    1. Product Name: 4-Bromo-5-methoxy-2-nitroaniline
    2. Synonyms: 4-Bromo-5-methoxy-2-nitroaniline;4-bromo-5-methoxy-2-nitrobenzeneamine
    3. CAS NO:173312-36-2
    4. Molecular Formula: C7H7BrN2O3
    5. Molecular Weight: 247.04608
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 173312-36-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 368.4±37.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.718±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Room temperature.
    8. Solubility: N/A
    9. PKA: -1.44±0.25(Predicted)
    10. CAS DataBase Reference: 4-Bromo-5-methoxy-2-nitroaniline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-Bromo-5-methoxy-2-nitroaniline(173312-36-2)
    12. EPA Substance Registry System: 4-Bromo-5-methoxy-2-nitroaniline(173312-36-2)
  • 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: 173312-36-2(Hazardous Substances Data)

173312-36-2 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromo-5-methoxy-2-nitroaniline is used as an intermediate in the synthesis of novel benzimidazoles urea. These benzimidazoles act as inhibitors of DNA Gyrase and Topoisomerase IV, which are essential enzymes in bacterial DNA replication. The inhibition of these enzymes by benzimidazoles leads to potent antibacterial activity, making them valuable in the development of new antibiotics to combat drug-resistant bacterial infections.
Used in Chemical Synthesis:
In the chemical industry, 4-Bromo-5-methoxy-2-nitroaniline is utilized as a building block for the creation of various complex organic molecules. Its unique functional groups allow for further chemical reactions and modifications, enabling the synthesis of a wide range of compounds with diverse applications, such as dyes, pigments, and other specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 173312-36-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,3,3,1 and 2 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 173312-36:
(8*1)+(7*7)+(6*3)+(5*3)+(4*1)+(3*2)+(2*3)+(1*6)=112
112 % 10 = 2
So 173312-36-2 is a valid CAS Registry Number.

173312-36-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-5-methoxy-2-nitroaniline

1.2 Other means of identification

Product number -
Other names 4-bromo-3-methoxy-6-nitroaniline

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:173312-36-2 SDS

173312-36-2Relevant articles and documents

COMBINATION THERAPY

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Page/Page column 92-93; 139-140, (2021/10/02)

The invention provides a combinations and pharmaceutical compositions comprising (i) a compound which is an indane according to Formula (I) or a pharmaceutically acceptable salt thereof; and (ii) one or more CFTR modulator; wherein R1, R2

METHODS AND COMPOSITIONS FOR MODULATING SPLICING

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Paragraph 0620; 0717, (2020/08/22)

Described herein are small molecule splicing modulator compounds that modulate splicing of mRNA, such as pre-mRNA, encoded by genes, and methods of use of the small molecule splicing modulator compounds for modulating splicing and treating diseases and conditions.

IRAK DEGRADERS AND USES THEREOF

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Paragraph 00920; 002817-002819, (2021/01/23)

The present invention provides compounds, compositions thereof, and methods of using the same. The compounds include an IRAK binding moiety capable of binding to IRAK4 and a degradation inducing moiety (DIM). The DIM could be DTM a ligase binding moiety (LBM) or lysine mimetic. The compounds could be useful as IRAK protein kinase inhibitors and applied to IRAK mediated disorders.

HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE

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Page/Page column 170, (2020/01/24)

The present description relates to compounds, forms, and pharmaceutical compositions thereof and methods of using such compounds, forms, or compositions thereof for treating or ameliorating Huntington's disease. Formula (I). In particular, the present description relates to substituted bicyclic heterocyclic and heteroaryl compounds compounds of Formula (I), forms and pharmaceutical compositions thereof and methods of using such compounds, forms, or compositions thereof for treating or ameliorating Huntington's disease.

INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION

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Paragraph 0115-0117, (2020/04/09)

The invention relates to a compound which is an indane according to Formula (I), or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4, R5, R6, n and p are as defined herein

Heterocyclic compound used as MNK inhibitor

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Paragraph 0253, (2019/01/08)

The invention relates to a heterocyclic compound, a pharmaceutical composition containing the heterocyclic compound, a preparation method thereof, and application thereof used as a mitogen activated protein kinase interacting kinase 1 and 2-MNK1/MNK2 inhibitor. The inhibitor is the heterocyclic compound as shown in the formula (I), or its pharmaceutically acceptable salt, prodrug, solvent compound, polycrystal, isomer, stable isotope derivative or a pharmaceutical composition containing the heterocyclic compound. The compound of the invention can be used for treating or preventing MNK-mediatedrelated diseases, such as cancers.

HETEROCYCLIC KINASE INHIBITORS

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Page/Page column 63, (2016/05/19)

The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

Conformationally restricted dynamic supramolecular catalysts for substrate-selective epoxidations

Sheibani, Esmaeil,Waernmark, Kenneth

, p. 2059 - 2067 (2012/04/23)

A second generation of a substrate-selective dynamic supramolecular catalytic system consisting of a catalyst part and a receptor part, connected by a hydrogen-bonding motif, has been realized based on rational design. The results from analyses of the equilibrium mixture of the species generated by the components of the first generation system led us to selectively lock the cisoid conformation of the catalyst part to increase the amount of the substrate-selective catalytic cavity in the equilibrium mixture. This was realized by strapping the catalyst part by organic synthesis. This strapping led to an increase in substrate selectivity in the pair-wise competitive epoxidations of pyridyl- vs. phenyl-appended styrenes and pyridyl- vs. phenyl-appended stilbenes of both Z- and E- configuration compared to the first generation system, reaching 3.4:1 as the highest substrate selectivity for Z-mono-pyridyl-stilbene (27a) vs. the corresponding all-carbon analogue (28a) and for E-dipyridyl-stilbene (26b) vs. the corresponding all-carbon analogue (28b), respectively.

Investigation of novel 7,8-disubstituted-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones as potent Chk1 inhibitors

Hasvold, Lisa A.,Wang, Le,Przytulinska, Magdalena,Xiao, Zhan,Chen, Zehan,Gu, Wen-Zhen,Merta, Philip J.,Xue, John,Kovar, Peter,Zhang, Haiying,Park, Chang,Sowin, Thomas J.,Rosenberg, Saul H.,Lin, Nan-Horng

, p. 2311 - 2315 (2008/09/21)

The synthesis and structure-activity relationships (SAR) of Chk1 inhibitors based on a 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one core are described. Specifically, an exploration of the 7 and 8 positions on this previously disclosed core afforded compounds with improved enzymatic and cellular potency.

Benzotriazine inhibitors of kinases

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Page/Page column 90, (2008/06/13)

The invention provides benzotriazine compounds having formula (I). The benzotriazine compounds of the invention are capable of inhibiting kinases, such members of the Src kinase family, and various other specific receptor and non-receptor kinases.

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