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Home Quinolines 4456-77-3
4456-77-3,MFCD00234966
Catalog No.:AA00DA15

4456-77-3 | 2,4-dihydroisoquinoline-1,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96%
in stock  
$7.00   $5.00
- +
250mg
96%
in stock  
$9.00   $7.00
- +
1g
96%
in stock  
$26.00   $18.00
- +
5g
95%
in stock  
$128.00   $90.00
- +
10g
96%
in stock  
$174.00   $122.00
- +
100g
95%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DA15
Chemical Name:
2,4-dihydroisoquinoline-1,3-dione
CAS Number:
4456-77-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00234966
SMILES:
O=C1NC(=O)c2c(C1)cccc2
NSC Number:
409146
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
0.7  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2007,vol.50,#15,p.3651-3660

[1]BioorganicandMedicinalChemistry,2015,vol.23,#17,p.5891-5908

[1]Patent:US2005/113576,2005,A1,.Locationinpatent:Page/Pagecolumn30

[2]JournalofMedicinalChemistry,2007,vol.50,#15,p.3651-3660

[3]Patent:US6340759,2002,B1,.Locationinpatent:Example17

[4]Patent:WO2010/127855,2010,A1,.Locationinpatent:Page/Pagecolumn136;137

[1]Patent:US6933311,2005,B2,

[2]Patent:US2004/157849,2004,A1,

[1]Patent:US6340759,2002,B1,.Locationinpatent:Example28

[2]Patent:WO2012/41476,2012,A1,.Locationinpatent:Page/Pagecolumn56-57

[3]Patent:EP2441755,2012,A1,.Locationinpatent:Paragraph0172

[4]BioorganicandMedicinalChemistry,2015,vol.23,#17,p.5891-5908

Downstream Synthesis Route

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1928,vol.186,p.1216

[2]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1928,vol.186,p.1216

[3]JournalofHeterocyclicChemistry,1976,vol.13,p.597-599

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1959,vol.248,p.1182

[1]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1928,vol.186,p.1216

[2]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1928,vol.186,p.1216

[3]BulletindelaSocieteChimiquedeFrance,1932,vol.<4>51,p.953,957,961

[4]JournalofHeterocyclicChemistry,1976,vol.13,p.597-599

6411-55-8    4456-77-3   
4-(3-oxo-indolin-2-ylidene)-4<i>H</i>-isoquinoline-1,3-dione 

[1]ChemischeBerichte,1920,vol.53,p.567

885-11-0    4456-77-3   
4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-ylimino)-4<i>H</i>-isoquinoline-1,3-dione 

[1]AnnalesdeChimie(Cachan,France),1932,vol.&lt;10&gt;17,p.271,348,353

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening.

Journal: Bioorganic & medicinal chemistry letters 20100801

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Discovery of novel inhibitors of inducible nitric oxide synthase.

Journal: The Journal of pharmacy and pharmacology 20020801

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SDS
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Tags:4456-77-3 Molecular Formula|4456-77-3 MDL|4456-77-3 SMILES|4456-77-3 2,4-dihydroisoquinoline-1,3-dione |Heterocyclic_Building_Blocks