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415713-60-9,MFCD01469444
Catalog No.:AA00C6EU

415713-60-9 | 3-Chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
≥98%
in stock  
$100.00   $70.00
- +
100mg
95%
in stock  
$139.00   $97.00
- +
250mg
95%
in stock  
$266.00   $186.00
- +
1g
95%
in stock  
$726.00 $508.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C6EU
Chemical Name:
3-Chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione
CAS Number:
415713-60-9
Molecular Formula:
C14H11Cl3N2O3
Molecular Weight:
361.6077
MDL Number:
MFCD01469444
SMILES:
O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C(=C1N1CCOCC1)Cl
Properties
Computed Properties
 
Complexity:
520  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2010,vol.20,#22,p.6560-6564

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6560-6564

[1]Patent:WO2014/85545,2014,A1.Locationinpatent:Page/Pagecolumn63

415713-60-9    67385-09-5    76-05-1   
3-((2-aminoethyl)thio)-1-(3,4-dichlorophenyl)-4-morpholino-1H-pyrrole-2,5-dionetrifluoroacetate 

[1]Patent:WO2014/85545,2014,A1.Locationinpatent:Page/Pagecolumn62;63

[1]Patent:WO2014/85545,2014,A1.Locationinpatent:Page/Pagecolumn63

Literature

Title: Inhibition of Bfl-1 with N-aryl maleimides.

Journal: Bioorganic & medicinal chemistry letters 20101115

Title: Budke B, et, al. RI-1: a chemical inhibitor of RAD51 that disrupts homologous recombination in human cells. Nucleic Acids Res. 2012 Aug;40(15):7347-57.

Title: Shi Y, et, al. DAXX, as a Tumor Suppressor, Impacts DNA Damage Repair and Sensitizes BRCA-Proficient TNBC Cells to PARP Inhibitors. Neoplasia. 2019 Jun;21(6):533-544.

Quotation Request
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SDS
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Tags:415713-60-9 Molecular Formula|415713-60-9 MDL|415713-60-9 SMILES|415713-60-9 3-Chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione
Catalog No.: AA00C6EU
415713-60-9,MFCD01469444
415713-60-9 | 3-Chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione
Pack Size： 1mg
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 5mg
Purity： ≥98%
in stock
$100.00 $70.00
Pack Size： 100mg
Purity： 95%
in stock
$139.00 $97.00
Pack Size： 250mg
Purity： 95%
in stock
$266.00 $186.00
Pack Size： 1g
Purity： 95%
in stock
$726.00 $508.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C6EU
Chemical Name: 3-Chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione
CAS Number: 415713-60-9
Molecular Formula: C14H11Cl3N2O3
Molecular Weight: 361.6077
MDL Number: MFCD01469444
SMILES: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C(=C1N1CCOCC1)Cl
Properties
Complexity: 520  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Upstream Synthesis Route
110-91-8    65833-22-9    415713-60-9 

[1]BioorganicandMedicinalChemistryLetters,2010,vol.20,#22,p.6560-6564

Downstream Synthesis Route
110-91-8    65833-22-9    415713-60-9 

[1]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.6560-6564

415713-60-9    13242-44-9    76-05-1    1612753-11-3 

[1]Patent:WO2014/85545,2014,A1.Locationinpatent:Page/Pagecolumn63

415713-60-9    67385-09-5    76-05-1   
3-((2-aminoethyl)thio)-1-(3,4-dichlorophenyl)-4-morpholino-1H-pyrrole-2,5-dionetrifluoroacetate 

[1]Patent:WO2014/85545,2014,A1.Locationinpatent:Page/Pagecolumn62;63

415713-60-9    60-24-2    1612753-12-4 

[1]Patent:WO2014/85545,2014,A1.Locationinpatent:Page/Pagecolumn63

Literature fold

Title: Inhibition of Bfl-1 with N-aryl maleimides.

Journal: Bioorganic & medicinal chemistry letters20101115

Title: Budke B, et, al. RI-1: a chemical inhibitor of RAD51 that disrupts homologous recombination in human cells. Nucleic Acids Res. 2012 Aug;40(15):7347-57.

Title: Shi Y, et, al. DAXX, as a Tumor Suppressor, Impacts DNA Damage Repair and Sensitizes BRCA-Proficient TNBC Cells to PARP Inhibitors. Neoplasia. 2019 Jun;21(6):533-544.

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