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7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is a heterocyclic chemical compound with the molecular formula C8H5BrN2O2. It features a pyridine ring fused to an oxazin ring, with a bromine atom attached to the pyridine ring. 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one has been utilized in medicinal chemistry as a key building block for the synthesis of a variety of biologically active molecules. Its unique chemical structure and properties have positioned it as a valuable asset in drug discovery and development, with potential pharmacological properties such as anti-inflammatory and analgesic effects.

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  • 122450-96-8 Structure
  • Basic information

    1. Product Name: 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
    2. Synonyms: 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one;3-Oxo-3,4-dihydro-2H-1-oxa-4,5-diaza-7-broMo-naphthalene;7-Bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
    3. CAS NO:122450-96-8
    4. Molecular Formula: C7H5BrN2O2
    5. Molecular Weight: 229.0308
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 122450-96-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 403.9 °C at 760 mmHg
    3. Flash Point: 198 °C
    4. Appearance: /
    5. Density: 1.772
    6. Vapor Pressure: 9.86E-07mmHg at 25°C
    7. Refractive Index: 1.607
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 9.98±0.20(Predicted)
    11. CAS DataBase Reference: 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one(CAS DataBase Reference)
    12. NIST Chemistry Reference: 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one(122450-96-8)
    13. EPA Substance Registry System: 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one(122450-96-8)
  • 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: 122450-96-8(Hazardous Substances Data)

122450-96-8 Usage

Uses

Used in Medicinal Chemistry:
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is used as a building block for the synthesis of biologically active molecules, contributing to the development of new pharmaceuticals with potential therapeutic applications.
Used in Drug Discovery and Development:
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is utilized as a valuable tool in drug discovery and development due to its unique chemical structure and properties, which can be leveraged to create novel therapeutic agents.
Used in Pharmaceutical Industry:
7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is used as a precursor in the pharmaceutical industry for the creation of new drugs, particularly those with anti-inflammatory and analgesic properties, aiming to provide relief for various medical conditions.
Used in Research and Development:
In the field of research and development, 7-bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one is employed as a chemical probe to study its pharmacological properties, including its potential as an anti-inflammatory and analgesic agent, thereby advancing our understanding of its therapeutic potential.

Check Digit Verification of cas no

The CAS Registry Mumber 122450-96-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,2,4,5 and 0 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 122450-96:
(8*1)+(7*2)+(6*2)+(5*4)+(4*5)+(3*0)+(2*9)+(1*6)=98
98 % 10 = 8
So 122450-96-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H5BrN2O2/c8-4-1-5-7(9-2-4)10-6(11)3-12-5/h1-2H,3H2,(H,9,10,11)

122450-96-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-Bromo-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

1.2 Other means of identification

Product number -
Other names 7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one

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:122450-96-8 SDS

122450-96-8Relevant articles and documents

LPA RECEPTOR ANTAGONISTS AND USES THEREOF

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, (2021/12/17)

The present disclosure relates generally to compounds that bind to Lysophosphatidic Acid Receptor 1 (LPAR1) and act as antagonists of LPAR1. The disclosure further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of LPAR1, including fibrosis and liver diseases such as non alcoholic steatohepatitis (NASH).

5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER

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Page/Page column 175, (2019/04/10)

The invention is directed to substituted 5-(1H-benzo[d]imidazo-2-yl)- pyridin-2-amine and 5-(3H-imidazo[4,5-b]pyridin-6-yl)-pyridin-2-amine derivatives. Specifically, the invention is directed to compounds according to Formula (lb) wherein R', R2', R3', R4', Rs', R6', R7', and X1' are as defined herein; or a salt thereof including a pharmaceutically acceptable salt thereof. The compounds of the invention decrease MYC protein (c-MYC) in cells and/or inhibit p300/CBP histone acetyltransferase and can be useful in the treatment of cardiac hypertrophy, diabetes, obesity and nonalcoholic fatty liver disease, HIV, polycystic kidney disease, inflammatory diseases, ankylosing spondylitis, psoriasis, psoriatic arthritis, rheumatoid arthritis, Crohn's disease, multiple sclerosis, cancer and pre-cancerous syndromes, and diseases associated with dysregulation of Myc or inhibition of p300/CBP histone acetyltransferase. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention still further discloses methods of reducing MYC protein (c-MYC) in cells and inhibiting p300/CBP histone acetyltransferase activity, and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

A 2-amino-thiazole compounds (by machine translation)

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Paragraph 0608-0610, (2016/10/08)

The present invention relates to the technical field of pharmaceutical chemistry, particularly relates to a 2-amino thiazole compound or its pharmaceutically acceptable salts, its preparation method, and pharmaceutical compositions containing such compounds and its application in the preparation of antineoplastic. (by machine translation)

INHIBITORS OF KINASE ACTIVITY WITH 1,2-DI-CYCLYL SUBSTITUTED ALKYNE STRUCTURES

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Page/Page column 93-94, (2009/10/09)

This invention relates to compounds that inhibit protein kinase activity. More particularly, the invention relates to compounds, compositions, and methods fo inhibiting Ret receptor kinase activity, c-Raf kinase activity and/or VEGF receptor kinase activity. These compounds are alkynes substituted by carbocyclic or heterocyclic rings at both ends with further substitutions thereon. They further show in vivo activity against solid tumor disease models.

COMPOUNDS, COMPOSITIONS AND METHODS

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Page/Page column 56-57, (2010/11/24)

Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of KSP are disclosed.

CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS

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Page/Page column 256; 262, (2010/02/06)

This invention provides compounds defined by Formula I Z-L-R1-Q-D-(V1)m-R2 I or a pharmaceutically acceptable salt thereof, wherein Z, L, R1, Q, D, V1, m, and R2 are as defined in the specification. The invention also provides pharmaceutical compositions comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, as defined in the specification, together with a pharmaceutically acceptable carrier, diluent, or excipient. The invention also provides methods of inhibiting an MMP-13 enzyme in an animal, comprising administering to the animal a compound of Formula I, or a pharmaceutically acceptable salt thereof. The invention also provides methods of treating a disease mediated by an MMP-13 enzyme in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides methods of treating diseases such as heart disease, multiple sclerosis, osteo- and rheumatoid arthritis, arthritis other than osteo- or rheumatoid arthritis, cardiac insufficiency, inflammatory bowel disease, heart failure, age-related macular degeneration, chronic obstructive pulmonary disease, asthma, periodontal diseases, psoriasis, atherosclerosis, and osteoporosis in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides combinations, comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, together with another pharmaceutically active component as described in the specification.

Substituted pyrido[3,2-b]oxazin-3(4H)-ones: Synthesis and evaluation of antinociceptive activity

Savelon,Bizot-Espiard,Caignard,Pfeiffer,Renard,Viaud,Guillaumet

, p. 133 - 142 (2007/10/03)

A new series of N-substituted pyrido[3,2-b]oxazinones has been synthesized, pharmacologically evaluated, and compared with acetyl salicylic acid. The compound with the maximal combination of safety and analgesic efficacy was 4-{3-[4-(4-fluorophenyl-1-piperazinyl)propyl]}- 2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one (6c) with ED50 values of 12.5 mg/kg po (mouse: phenylquinone writhing test) and 27.8 mg/kg po (rat: acetic acid writhing test), respectively. Compound 6c proved to be more active than aspirin with a safety index of 5.1.

Pyridazinone and pyrazolone compounds, cardiotonic compositions including same, and their uses

-

, (2008/06/13)

This invention relates to substituted pyridooxazinone and naphtheridone pyridazinone and pyrazolone compounds which are useful as cardiotonic agents for the treatment of congestive heart failure, to methods for increasing cardiac contractility using said

Pyridooxazinone-pyridone compounds, cardiotonic compositions including the same, and their uses

-

, (2008/06/13)

This invention relates to substituted pyridooxazinone pyridones which are useful as cardiotonic agents for the treatment of congestive heart failure, to methods for increasing cardiac contractility using said compounds, and pharmaceutical compositions including the same.

Naphtheridinone- and pyridooxazinone-pyridone compounds, cardiotonic compositions including same, and their uses

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, (2008/06/13)

This invention relates to substituted pyridooxazinone and naphtheridone pyridones which are useful as cardiotonic agents for the treatment of congestive heart failure, to methods for increasing cardiac contractility using said compounds, and pharmaceutical compositions including the same.

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