2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)

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Description

2,8-Diazaspiro[4.5]decan-3-one (561314-57-6) video

In the efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template. It describes here the investigation of a variety of templates including spiropiperidinyl-γ -lactams, spiropiperidinylimide, spiropiperidinylureas, and spiropiperidinylhydantoins. With the appropriate acidic and basic pharmacophores in place, each template yielded analogues with potent GPIIb-IIIa inhibitory activity. One of the compounds, 59 (CT50787), was also used to demonstrate for the first time the use of a pharmacological agent which is αIIbβ3 specific to display biological activity in a lower species such as mouse and to extend bleeding times. Evaluation of the pharmacokinetic properties of selected compounds from each series in rat, dog, and cynomolgus monkey has led to the identification of 22 (CT51464), a double prodrug, with excellent pharmacokinetic properties. It exhibited good pharmacokinetic profile across species (Fpercent = 33 (Cyno), 73 (dog), 22 (rat); t1/2β = 14. 2 h (Cyno), 8.97 h (dog), 1.81 h (rat)). The biologically active form, 23 (CT50728), displayed inhibition of platelet aggregation in platelet rich plasma (PRP) with an IC50 value of 53 nM in citrate buffer, 110 nM in PPACK anticoagulated PRP, and 4 nM in solid-phase GPIIb-IIIa competition binding assay (ELISA). Both 23 and 22 were stable in human liver microsomes, did not inhibit the P450 3A4 isozyme, and had low protein binding (18.22percent for 23) and a desirable log P (0.45 ± 0.06 for 22, and -0.91 ± 0.32 for 23). It is predicted that the high oral bioavailability for these compounds in multiple species should translate into lower intra- and intersubject variability in man. The long plasma half-life of the lead is consistent with once or twice daily administration for chronic therapy. Analogue 22 (CT51464) thus appears to be a promising oral GPIIb-IIIa inhibitor with significantly improved pharmacokinetic properties over the previously described clinical candidates and may be found useful in the treatment of arterial occlusive disorders.

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 2,8-Diazaspiro[4.5]decan-3-one (561314-57-6) Specifications

CAS 561314-57-6
CAS Min % 95.0
CAS Max % 98.0
MDL Number MFCD11044206
InChI Key ASPBBYVNTMIKLA-UHFFFAOYSA-N
Chemical Name or Material 2,8-Diazaspiro[4.5]decan-3-one
Infrared Spectrum Authentic
Physical Form N/A
Packaging Glass bottle
Molecular Formula C8H14N2O
Molecular Weight (g/mol) 154.212
SMILES C1CNCCC12CC(=O)NC2
Color yellow
Melting Point N/A
Assay ≧98%

2,8-Diazaspiro[4.5]decan-3-one (561314-57-6) Safety and HandlingAPICMO hazard icons

2,8-Diazaspiro[4.5]decan-3-one Hazard description:

w Harmful if swallowed

w Causes serious eye irritation.

w Causes skin irritation.

w May cause respiratory irritation.

w Avoid breathing dust/fume/gas/mist/vapors/spray.

561314-57-6 Precautionary statement:

w Avoid breathing dust/fume/gas/mist/vapours/spray.

w Wear protective gloves and eye/face protection.

w IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.

Articles

Discovery of Novel 2,8-Diazaspiro[4.5]decanes as Orally Active Glycoprotein IIb-IIIa AntagonistsMehrotra,

In our efforts to develop orally active GPIIb-IIIa antagonists with improved pharmaceutical properties, we have utilized a novel 2,8-diazaspiro[4.5]decane scaffold as a template… Journal of Medicinal Chemistry 2004.

 2,8-Diazaspiro[4.5]decan-3-one (561314-57-6) Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

 2,8-Diazaspiro[4.5]decan-3-one (561314-57-6) Bulk Ordering & Pricing:

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2 reviews for  2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)

  1. APICMO

    APICMO, we synthesize, produce and manufacture 561314-57-6 in bulk and in the highest quality and standards possible. All our products comply with all the regulations established by CGMP on quality control in manufacturing.

    561314-57-6 Description

    • 2,8-Diazaspiro[4.5]decan-3-one is in the same category as;
    • Acids.
    • Pyridines.
    • Azetidines.
    • Amines.
    • Thietanes.
    • Pyrrolidines.
    • Bicyclo [1.1.1]pentanes.
    • Bicyclo [x.y.z]alkanes.
    • FluoroBlocks.
    • Cubane.
    • Spirocytes.
    • Oxetanes.
    • Cyclobutanes.
    • Cyclopropanes

    2,8-Diazaspiro[4.5]decan-3-one is also known as;

    • 3,8-Diazaspiro[4.5]decan-2-one.
    • MolPort-008-154-349.
    • 2,8-diazaspiro[4.5]decane-3-one.
    • 561314-57-6 2,8-Diazaspiro [4.5]decan-3-one.

    The IUPAC Name of the product is 2,8-diazaspiro[4.5]decan-3-one.

    Chemical Name of the product is 2,8-diaza-spiro[4.5]decan-3-one.

    2,8-Diazaspiro[4.5]decan-3-one Structural Formula.

    CAS 561314-57-6

     2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)

    2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 Product Specification

    CAS NO 561314-57-6
    Molecular Formula C8H14N2O
    Molecular Weight (g/mol) 154.213
    Density (g/cm3) 1.129
    Melting Point
    Boiling Point 360.137 degree Celsius at 760mmHg
    Refractive Index 1.533
    Purity 98%
    Monoisotopic Mass (g/mol) 154.111

    561314-57-6 Chemical and Physical Properties

    2,8-Diazaspiro[4.5]decan-3-one appears as a white powder.

    Bonding

    Covalent Bond 1
    Hydrogen Bond Donor- 2

    Acceptor- 2

    Rotatable Bond 0

    Stability

    • 561314-57-6 is generally stable when stored under the recommended conditions.
    • Avoid exposure to sparks, flame and heat.
    • Do not expose to incompatible materials such as Acid chlorides, Acid anhydrides, acids and oxidizing agents.

    2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 Computed Properties

    Property Name Property Value
    Exact Mass (g/mol) 154.111
    Isotope Atom Count 0
    Topological Surface Area 41.1A^2
    Heavy Atom Count 11
    XLogp3-AA -0.6
    Complexity 173
    Compound is Canonicalized Yes
    Formal Charge 0
    Defined Bond Stereocenter Count 0
    Defined Atom Stereocenter Count 0
    Undefined Bond Stereocenter Count 0
    Undefined Atom Stereocenter Count 0

     

    561314-57-6 Synthesis Route

    2,8-Diazaspiro[4.5]decan-3-one has a single synthesis route.

    Synthesis Route for 2,8-Diazaspiro[4.5]decan-3-one

     2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)

    169206-67-1tert-Butyl 3-oxo…

    6-Chloro-5-azaindole
    ~99%

     

     2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)561314-57-6 2,8-Diazaspiro[4…

    2nd Synthesis Route

     2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)

    945892-88-6 2,8-diazaspiro[4…

    6-Chloro-5-azaindole  2,8-Diazaspiro[4.5]<span data-mce-type= 2,8-Diazaspiro[4.5]decan-3-one (561314-57-6)561314-57-6 2,8-Diazaspiro[4…

    Applications of 561314-57-6

    2,8-Diazaspiro[4.5]decan-3-one is used as an intermediate in organic synthesis.

    2,8-Diazaspiro[4.5]decan-3-one Safety Handling Measures

    1. 561314-57-6 Engineering Controls

    • Handle 2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 in compliance with safety practice and good industrial hygiene.
    • Use a chemical fume hood whenever you are working on 561314-57-6.
    • Avoid any formation of dust or aerosols.
    • Avoid breathing gas, mist, dust and vapours.
    • Always wash hands thoroughly prior to breaks and after a day’s work.

    2. 561314-57-6 Personal Protection and Safety

    Always wear protective gear which should include; safety goggles, laboratory clothing and    chemical-resistant gloves.

    For Skin Protection

    • Use inspected gloves to protect your hands whenever you are dealing with 561314-57-6.
    • Always remember to follow proper gloves removal technique; do not touch the outer surface of the contaminated gloves to avoid skin contact.
    • Comply with the good practices and applicable laws when disposing the contaminated gloves.
    • Lastly wash and dry your hands.

    For Eye and Face Protection

    • The eye protection should be tested and approved by the government.
    • Use safety glasses that have side-shields which conform to EN166.

    For Respiratory Protection

    • Use type P1 (EU EN 143) or type P95 (US) particle respirator for nuisance exposures.
    • Use type ABER-P2 (EU EN 143) or type OV/AG/P99 (US) respirator cartridges for protection where exposure levels are high.
    • All components and respirators should be tested and approved.

    3. 2,8-Diazaspiro[4.5]decan-3-one, environmental Safety and Protection

    • Do not allow 561314-57-6 to enter regular drains.

    4. 561314-57-6 First Aid Measures

    If ingested or swallowed

    • Rinse the mouth generously with copious amount of water for about 15 minutes.
    • Seek immediate medical attention or advice.

    For Eye Contact

    • Immediately flush the eyes with plenty of water for about 15 minutes while occasionally lifting left and right eyelids as you continue to flush.
    • Seek medical care if the symptoms persist.

    If Inhaled

    • Immediately remove the victim from exposure.
    • Bring the casualty to an open area with sufficient flow of air or to well-ventilated room.
    • Seek immediate medical care for severe cases or if the symptoms persist.

    For Skin Contact

    • Thoroughly wash the affected area with plenty of running water and a mild soap.
    • Consult your doctor or physician if the symptoms persist.

    5. Take the Following Measures When Using 561314-57-6

    • Ensure you always work in a chemical hood when working on 2,8-Diazaspiro[4.5]decan-3-one.
    • Wear a protective gear to limit any contact with the chemical.
    • Avoid formation of dust and aerosols.
    • Avoid repeated and prolonged exposure to 561314-57-6 as it may cause allergic reactions to sensitive persons.

    6. After Using 2,8-Diazaspiro[4.5]decan-3-one, ensure you;

    • Tightly close the container with the product.
    • Return the container to its original packaging.
    • Wash and decontaminate the working area then allow fresh air to flow into it.
    • Take off all contaminated clothing clothes and shoes; wash the same before reuse.

    7. When 561314-57-6 is not in use, observe that you;

    • Store in a cool and dry place; avoid moisture.
    • Keep the product in locked away from unauthorized persons.
    • Avoid any exposure to incompatible materials such as; Acid anhydrides, Acid chlorides, acids and oxidizing agents.

    8. 2,8-Diazaspiro[4.5]decan-3-one Storage and Handling

    Handling

    • Handle 561314-57-6 under close supervision of qualified person; the person should be knowledgeable in dealing with potentially hazardous chemicals and matters of health, fire and chemical hazards.
    • Avoid formation of dust and aerosols.
    • Do not allow contact with eyes and skin.
    • Avoid breathing gas, dust, mist and vapours.
    • Always use protection gear.
    • Use in a chemical fume hood.
    • Ensure there is adequate ventilation whenever you are dealing with 561314-57-6.

    Storage

    • Store 2,8-Diazaspiro[4.5]decan-3-one refrigerated in closed vessels.
    • The storage place should be lockable to keep away unauthorized personnel.
    • Ensure sufficient ventilation is provided to the storage area.
    • Keep 561314-57-6 in a cool and dry place.

    9. 2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 Chemical Disposal

    • Burn 561314-57-6 in a chemical incinerator that is fitted with an after burn and a scrubber.
    • Be very cautious when igniting this material as 561314-57-6 is highly flammable.
    • Give out any surplus and non-recyclable solutions to a disposal firm that is licensed.
    • Call a professional licensed waste disposal firm to dispose of this product waste.

    10. 2,8-Diazaspiro[4.5]decan-3-one Sensitivity and Reactivity

    • Avoid sparks, flames and heat.
    • Keep 561314-57-6 away from oxidizing agents.
    • Avoid potential hazardous combustion products such as nitrogen oxides and carbon monoxide.

    11. 561314-57-6 Accidental Measures

    • Wear appropriate protective gear which meets the local, federal, and state standards and performs satisfactorily.
    • Ensure you wear a mask or respirator that is approved.
    • Protect your hands using appropriate gauntlets or gloves.
    • Wear the right eye protection.

    Fire Fighting Measures

    • In case of fire involving 561314-57-6 either alone or with other materials, use carbon dioxide, water spray, alcohol-resistant foam and dry powder to quench it.

    Spillage

    • Mix with an inert absorbent such as sand then sweep up by use of a shovel to collect the waste into a labelled container for disposal.

    12. 2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 Health Hazards

    • 561314-57-6 is harmful if ingested as it may cause gastrointestinal tract irritation.
    • Avoid inhalation of 561314-57-6 as it may cause respiratory irritation.
    • Do not allow eye contact with 561314-57-6 as it may cause eye irritation and damage.
    • Avoid contact with the skin as it may cause skin irritation.
    1. m)2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 Regulatory Info
    • All chemicals in this material are not subject to reporting requirements established by SARA Title iii, Section 302.
    • The CAS No in this material do not exceed the reporting threshold levels set by SARA Title, Section 313.
    1. n) 2,8-Diazaspiro[4.5]decan-3-one Shipping Info
    • 561314-57-6 is not hazardous for any transportation.
    • It is safe for shipping, air and ground transportation.
    1. Technical Service

    Our team of experts are experienced and excellent in Material Science, Life Science, Chemical Analysis, Chromatography and more.

    13. 2,8-Diazaspiro[4.5]decan-3-one 561314-57-6 Bulk Ordering and Pricing.

    Do you need 2,8-Diazaspiro[4.5]decan-3-one, 561314-57-6 in bulk? Contact our customer care for assistance.

    Bibliography

    1. Tai, Vincent W.-F.; Garrido, Dulce; Price, Daniel J.; Maynard, Andrew; Pouliot, Jeffrey J.; Xiong, Zhiping; Seal, John W.; Creech, Katrina L.; Kryn, Luz H.; Baughman, Todd M.; Peat, Andrew J. Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 10 p. 2288 – 2294.
    2. National Centre For Biotechnology Information, US. National Library of Medicine, Pubchem, 2,8-Diazaspiro[4.5]decan-3-one, Sections 1-10.
    3. Paul C.Fritch, Jeffrey Krajewski, Bioorganic & Medicinal Chemistry Letters Volume 20, Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists, Pages 6375-6378
  2. Apicmo

    The best 2,8-Diazaspiro[4.5]decan-3-one and service i have ever had,Nice experience

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