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Ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate is a complex chemical compound characterized by a pyridazine ring fused to an azepine ring. This molecule features an ethyl ester group and a hydroxy group attached to the azepine ring, classifying it as a hydroxyethyl ester derivative. It is part of the aromatic heterocyclic class known as pyridazines. The unique structure of this compound suggests potential applications in medicinal chemistry and drug discovery, although further research is required to explore its properties and uses fully.

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  • ETHYL 3-HYDROXY-8,9-DIHYDRO-5H-PYRIDAZINO[3,4-D]AZEPINE-7(6H)-CARBOXYLATE

    Cas No: 1190897-26-7

  • USD $ 1.9-2.9 / Gram

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  • SAGECHEM/Ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate/SAGECHEM/Manufacturer in China

    Cas No: 1190897-26-7

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  • 1190897-26-7 Structure
  • Basic information

    1. Product Name: ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate
    2. Synonyms: ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate;ethyl 3-hydroxy-5H,6H,7H,8H,9H-pyridazino[3,4- d]azepine-7-carboxylate;2,3,5,6,8,9-Hexahydro-3-oxo-7H-pyridazino[3,4-d]azepine-7-carboxylic acid ethyl ester;Ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H);ethyl 3-hydroxy-5,6,8,9-tetrahydro-7H-pyridazino[3,4-d]azepine-7-carboxylate
    3. CAS NO:1190897-26-7
    4. Molecular Formula: C11H15N3O3
    5. Molecular Weight: 237.2551
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1190897-26-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.37
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate(CAS DataBase Reference)
    10. NIST Chemistry Reference: ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate(1190897-26-7)
    11. EPA Substance Registry System: ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate(1190897-26-7)
  • 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: 1190897-26-7(Hazardous Substances Data)

1190897-26-7 Usage

Uses

Used in Medicinal Chemistry:
Ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate is used as a potential candidate in medicinal chemistry for its unique structure and potential biological activities. Its complex molecular arrangement may offer new avenues for the development of therapeutic agents.
Used in Drug Discovery:
In the field of drug discovery, ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate is used as a starting point for the synthesis of new compounds with potential pharmaceutical applications. Its heterocyclic nature and functional groups may contribute to the creation of novel drugs with improved efficacy and safety profiles.
Used in Pharmaceutical Research:
Ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate is used as a research tool in pharmaceutical research to investigate its interactions with biological targets and its potential as a lead compound for the development of new medications. ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate's structure may provide insights into the design of more effective and targeted therapies.

Check Digit Verification of cas no

The CAS Registry Mumber 1190897-26-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,9,0,8,9 and 7 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1190897-26:
(9*1)+(8*1)+(7*9)+(6*0)+(5*8)+(4*9)+(3*7)+(2*2)+(1*6)=187
187 % 10 = 7
So 1190897-26-7 is a valid CAS Registry Number.

1190897-26-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-oxo-5,6,8,9-tetrahydro-2H-pyridazino[3,4-d]azepine-7-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 3-hydroxy-8,9-dihydro-5H-pyridazino[3,4-d]azepine-7(6H)-carboxylate

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

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More Details:1190897-26-7 SDS

1190897-26-7Downstream Products

1190897-26-7Relevant articles and documents

Selective 5-HT2Creceptor agonists: Design and synthesis of pyridazine-fused azepines

Green, Martin P.,McMurray, Gordon,Storer, R. Ian

, p. 4117 - 4121 (2016/08/01)

Heterocycle-fused azepines are discussed as potent 5-HT2Creceptor agonists with excellent selectivity over 5-HT2Bagonism. Synthesis and structure activity relationships are outlined for a series of bicyclic pyridazino[3,4-d]azepines.

Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence

Brennan, Paul E.,Whitlock, Gavin A.,Ho, Danny K.H.,Conlon, Kelly,McMurray, Gordon

scheme or table, p. 4999 - 5003 (2010/03/31)

A range of heterocycle fused azepines were synthesized in order to find a CNS penetrant, selective 5-HT2C agonist for the treatment of incontinence. The pyridazo-azepines such as compound 11 were shown to be potent 5-HT2C agonists and have potential for CNS penetration and good in vitro ADME properties but lacked selectivity against 5-HT2B. Fusing a further heterocycle gave the selective triazolopyrimido-azepines. An example of this series, compound 36, was shown to be potent, selective, metabolically stable in vitro and efficacious in an in vivo model of stress urinary incontinence.

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