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Isoxazolo[4,5-b]pyridin-3-amine (9CI) is a chemical compound belonging to the isoxazole family, characterized by a molecular formula of C7H6N4O. It features a pyridine ring fused to an isoxazole ring, which endows it with unique structural and chemical properties. Isoxazolo[4,5-b]pyridin-3-amine (9CI) holds significant potential in the realm of medicinal chemistry, particularly for the development of innovative pharmaceutical drugs. Additionally, it may find applications in organic synthesis and chemical research, attracting the attention of scientists and researchers across various disciplines.

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  • 114080-93-2 Structure
  • Basic information

    1. Product Name: Isoxazolo[4,5-b]pyridin-3-amine (9CI)
    2. Synonyms: Isoxazolo[4,5-b]pyridin-3-amine (9CI);Isoxazolo[4,5-b]pyridin-3-amine;Isoxazolo[4,5-b]pyridin-3-ylaMine;3-AMino-isoxazolo[4,5-b]pyridine;[1,2]oxazolo[4,5-b]pyridin-3-amine
    3. CAS NO:114080-93-2
    4. Molecular Formula: C6H5N3O
    5. Molecular Weight: 135.1234
    6. EINECS: N/A
    7. Product Categories: PYRIDINE;organic building block
    8. Mol File: 114080-93-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 336.6°C at 760 mmHg
    3. Flash Point: 157.4°C
    4. Appearance: /
    5. Density: 1.421g/cm3
    6. Vapor Pressure: 0.000111mmHg at 25°C
    7. Refractive Index: 1.701
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: Isoxazolo[4,5-b]pyridin-3-amine (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: Isoxazolo[4,5-b]pyridin-3-amine (9CI)(114080-93-2)
    12. EPA Substance Registry System: Isoxazolo[4,5-b]pyridin-3-amine (9CI)(114080-93-2)
  • 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: 114080-93-2(Hazardous Substances Data)

114080-93-2 Usage

Uses

Used in Medicinal Chemistry:
Isoxazolo[4,5-b]pyridin-3-amine (9CI) is utilized as a key intermediate in the synthesis of pharmaceutical drugs. Its unique structure allows for the development of novel drug candidates with potential therapeutic applications in various medical fields.
Used in Organic Synthesis:
In the field of organic synthesis, Isoxazolo[4,5-b]pyridin-3-amine (9CI) serves as a valuable building block for the creation of complex organic molecules. Its reactivity and structural features facilitate the synthesis of a wide range of organic compounds with diverse applications.
Used in Chemical Research:
Isoxazolo[4,5-b]pyridin-3-amine (9CI) is employed as a research tool in chemical studies, enabling scientists to explore its properties, reactivity, and potential applications. Its unique structure and properties make it an interesting subject for further investigation and understanding of its role in chemical reactions and processes.

Check Digit Verification of cas no

The CAS Registry Mumber 114080-93-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,0,8 and 0 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 114080-93:
(8*1)+(7*1)+(6*4)+(5*0)+(4*8)+(3*0)+(2*9)+(1*3)=92
92 % 10 = 2
So 114080-93-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H5N3O/c7-6-5-4(10-9-6)2-1-3-8-5/h1-3H,(H2,7,9)

114080-93-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Isoxazolo[4,5-b]pyridin-3-amine

1.2 Other means of identification

Product number -
Other names [1,2]oxazolo[4,5-b]pyridin-3-amine

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:114080-93-2 SDS

114080-93-2Relevant articles and documents

A high-yielding method for the preparation of isoxazolopyridin-3-amine derivatives

Yu, Wensheng,Bulger, Paul G.,Maloney, Kevin M.

, p. 4941 - 4946 (2016/10/12)

A highly efficient and green method has been developed for the rapid preparation of highly functionalized isoxazolopyridin-3-amine derivatives in excellent yields. This process has a broad substrate scope, is operationally simple, and generally requires no chromatographic purification. In addition, the process is scalable and significantly greener than current alternatives with a PMI of 18 and water as the reaction solvent.

Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation

Hong, Yong Rae,Kim, Hyun Tae,Ro, Seonggu,Cho, Joong Myung,Lee, Sang Hwi,Kim, In Su,Jung, Young Hoon

, p. 3142 - 3145 (2014/06/24)

The design, synthesis, and capacity to inhibit HIF prolyl 4-hydroxylases (PHDs) are described for 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide analogs. These analogs revealed two kinds of novel scaffolds as PHD2 inhibitors. Synthetic routes were

Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation

Hong, Yong Rae,Kim, Hyun Tae,Ro, Seonggu,Cho, Joong Myung,Lee, Sang Hwi,Kim, In Su,Jung, Young Hoon

, p. 3142 - 3145 (2015/02/19)

The design, synthesis, and capacity to inhibit HIF prolyl 4-hydroxylases (PHDs) are described for 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide analogs. These analogs revealed two kinds of novel scaffolds as PHD2 inhibitors. Synthetic routes were

Heteroaryl urea inhibitors of fatty acid amide hydrolase: Structure-mutagenicity relationships for arylamine metabolites

Tichenor, Mark S.,Keith, John M.,Jones, William M.,Pierce, Joan M.,Merit, Jeff,Hawryluk, Natalie,Seierstad, Mark,Palmer, James A.,Webb, Michael,Karbarz, Mark J.,Wilson, Sandy J.,Wennerholm, Michelle L.,Woestenborghs, Filip,Beerens, Dominiek,Luo, Lin,Brown, Sean M.,Boeck, Marlies De,Chaplan, Sandra R.,Breitenbucher, J. Guy

, p. 7357 - 7362 (2013/02/21)

The structure-activity relationships for a series of heteroaryl urea inhibitors of fatty acid amide hydrolase (FAAH) are described. Members of this class of inhibitors have been shown to inactivate FAAH by covalent modification of an active site serine with subsequent release of an aromatic amine from the urea electrophile. Systematic Ames II testing guided the optimization of urea substituents by defining the structure-mutagenicity relationships for the released aromatic amine metabolites. Potent FAAH inhibitors were identified having heteroaryl amine leaving groups that were non-mutagenic in the Ames II assay.

Design, synthesis and evaluation of new α-nucleophiles for the hydrolysis of organophosphorus nerve agents: Application to the reactivation of phosphorylated acetylcholinesterase

Saint-Andre, Geraldine,Kliachyna, Maria,Kodepelly, Sanjeevarao,Louise-Leriche, Ludivine,Gillon, Emilie,Renard, Pierre-Yves,Nachon, Florian,Baati, Rachid,Wagner, Alain

scheme or table, p. 6352 - 6361 (2011/09/19)

A series of new α-nucleophiles including oximes and amidoximes have been synthesized, and their ability to efficiently and selectively cleave the P-S bond of organophosphorus nerve agents has been evaluated. The relationship between the chemical structure

SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS

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Page/Page column 16, (2010/09/18)

The invention relates to substituted 3-aminoisoxazolopyridines, to processes for their preparation, to medicaments containing these compounds and to the use of these compounds in the preparation of medicaments.

HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE

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Page/Page column 27, (2010/07/02)

Certain heteroaryl-substituted piperidinyl and piperazinyl urea compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, insulin resistance, diabetes, osteoporosis, and movement disorders (e.g., multiple sclerosis).

HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE

-

Page/Page column 31, (2010/07/02)

Certain heteroaryl-substituted piperidinyl and piperazinyl urea compounds are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, insulin resistance, diabetes, osteoporosis, and movement disorders (e.g., multiple sclerosis).

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