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8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is a chemical compound with the molecular formula C16H21NO2. It is a spiro compound characterized by a bicyclic ring system where one of the rings shares two adjacent carbon atoms with the other. 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one features a benzyl group, an oxygen atom, and two nitrogen atoms within its structure. Its unique molecular architecture and the presence of heteroatoms make it a promising candidate for various applications in medicinal chemistry, particularly due to the diverse biological activities exhibited by spiro compounds, such as antimicrobial, anticancer, and central nervous system-modulating properties.

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  • 5053-14-5 Structure
  • Basic information

    1. Product Name: 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
    2. Synonyms: 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
    3. CAS NO:5053-14-5
    4. Molecular Formula: C14H18N2O2
    5. Molecular Weight: 246.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5053-14-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 457.1°Cat760mmHg
    3. Flash Point: 230.2°C
    4. Appearance: /
    5. Density: 1.22g/cm3
    6. Vapor Pressure: 1.54E-08mmHg at 25°C
    7. Refractive Index: 1.6
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one(5053-14-5)
    12. EPA Substance Registry System: 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one(5053-14-5)
  • 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: 5053-14-5(Hazardous Substances Data)

5053-14-5 Usage

Uses

Used in Medicinal Chemistry:
8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is used as a potential pharmaceutical agent for its diverse biological activities. 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one's unique structure and the presence of heteroatoms contribute to its potential applications in the development of new drugs.
Used in Antimicrobial Applications:
In the field of antimicrobial research, 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is used as an antimicrobial agent to combat various types of bacteria and other microorganisms. Its unique structure and functional groups may contribute to its ability to disrupt microbial cell walls or interfere with essential cellular processes, thereby inhibiting microbial growth.
Used in Anticancer Applications:
8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is used as an anticancer agent, where its unique molecular structure may allow it to target specific cancer cells or pathways, leading to the inhibition of tumor growth and progression. 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one's potential to modulate various signaling pathways involved in cancer development and metastasis makes it a promising candidate for further research and development in oncology.
Used in Central Nervous System Modulation:
In the context of central nervous system (CNS) research, 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is used as a modulating agent to explore its potential effects on neurological functions and disorders. 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one's unique structure and the presence of heteroatoms may enable it to interact with specific receptors or neurotransmitter systems, offering new avenues for the treatment of CNS-related conditions.
Used in Drug Delivery Systems:
To enhance the bioavailability, delivery, and therapeutic outcomes of 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one, various drug delivery systems are being developed. These systems may include organic and metallic nanoparticles, liposomes, or other carriers designed to improve the compound's solubility, stability, and targeted delivery to specific tissues or cells, thereby optimizing its pharmacological effects and minimizing potential side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 5053-14-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,5 and 3 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5053-14:
(6*5)+(5*0)+(4*5)+(3*3)+(2*1)+(1*4)=65
65 % 10 = 5
So 5053-14-5 is a valid CAS Registry Number.
InChI:InChI=1/C14H18N2O2/c17-13-15-11-14(18-13)6-8-16(9-7-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)

5053-14-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-Benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

1.2 Other means of identification

Product number -
Other names 8-benzyl-1-oxa-2-oxo-3,8-diazospiro<4,5>decane

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:5053-14-5 SDS

5053-14-5Relevant articles and documents

Oxazolidinone compounds and its use in medicine

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, (2017/04/26)

The invention relates to novel oxazolidinone compounds or stereoisomers, geometric isomers, tautomers, nitrogen oxides, hydrates, solvates, metabolites and pharmaceutically-acceptable salts or prodrugs of the novel oxazolidinone compounds. The invention a

Spirocyclic derivatives

-

, (2016/04/09)

The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease, disorder or condition ameliorated by inhibition of a dopamine transporter); and methods of treating patients with such compounds; wherein R1, R2, R3, R4, R5, R6, R9, R10, Q, X, Y, Z, A, L, B, m, n and p are as defined herein.

Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19

Mallinger, Aurélie,Schiemann, Kai,Rink, Christian,Stieber, Frank,Calderini, Michel,Crumpler, Simon,Stubbs, Mark,Adeniji-Popoola, Olajumoke,Poeschke, Oliver,Busch, Michael,Czodrowski, Paul,Musil, Djordje,Schwarz, Daniel,Ortiz-Ruiz, Maria-Jesus,Schneider, Richard,Thai, Ching,Valenti, Melanie,De Haven Brandon, Alexis,Burke, Rosemary,Workman, Paul,Dale, Trevor,Wienke, Dirk,Clarke, Paul A.,Esdar, Christina,Raynaud, Florence I.,Eccles, Suzanne A.,Rohdich, Felix,Blagg, Julian

, p. 1078 - 1101 (2016/02/23)

The Mediator complex-associated cyclin-dependent kinase CDK8 has been implicated in human disease, particularly in colorectal cancer where it has been reported as a putative oncogene. Here we report the discovery of 109 (CCT251921), a potent, selective, and orally bioavailable inhibitor of CDK8 with equipotent affinity for CDK19. We describe a structure-based design approach leading to the discovery of a 3,4,5-trisubstituted-2-aminopyridine series and present the application of physicochemical property analyses to successfully reduce in vivo metabolic clearance, minimize transporter-mediated biliary elimination while maintaining acceptable aqueous solubility. Compound 109 affords the optimal compromise of in vitro biochemical, pharmacokinetic, and physicochemical properties and is suitable for progression to animal models of cancer.

Delayed and prolonged histone hyperacetylation with a selective HDAC1/HDAC2 inhibitor

Methot, Joey L.,Hoffman, Dawn Mampreian,Witter, David J.,Stanton, Matthew G.,Harrington, Paul,Hamblett, Christopher,Siliphaivanh, Phieng,Wilson, Kevin,Hubbs, Jed,Heidebrecht, Richard,Kral, Astrid M.,Ozerova, Nicole,Fleming, Judith C.,Wang, Hongmei,Szewczak, Alexander A.,Middleton, Richard E.,Hughes, Bethany,Cruz, Jonathan C.,Haines, Brian B.,Chenard, Melissa,Kenific, Candia M.,Harsch, Andreas,Secrist, J. Paul,Miller, Thomas A.

, p. 340 - 345 (2014/05/06)

The identification and in vitro and in vivo characterization of a potent SHI-1:2 are described. Kinetic analysis indicated that biaryl inhibitors exhibit slow binding kinetics in isolated HDAC1 and HDAC2 preparations. Delayed histone hyperacetylation and

Inhibitors of prenyl-protein transferase

-

, (2008/06/13)

The present invention is directed to conformationally constrained compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

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