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Home Other Building Blocks 1258392-53-8
1258392-53-8,MFCD28411397
Catalog No.:AA009CE5

1258392-53-8 | AZD-5582

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$23.00   $16.00
- +
5mg
98+%
in stock  
$58.00   $41.00
- +
10mg
98+%
in stock  
$81.00   $57.00
- +
25mg
98+%
in stock  
$129.00   $90.00
- +
50mg
98+%
in stock  
$206.00   $144.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009CE5
Chemical Name:
AZD-5582
CAS Number:
1258392-53-8
Molecular Formula:
C58H78N8O8
Molecular Weight:
1015.2887
MDL Number:
MFCD28411397
SMILES:
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](OCC#CC#CCO[C@@H]2Cc3c([C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C
Properties
Computed Properties
 
Complexity:
1950  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
74  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
19  
XLogP3:
5.9  

Downstream Synthesis Route

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[2]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

[1]Hennessy,EdwardJ.;Adam,Ammar;Aquila,BrianM.;Castriotta,LillianM.;Cook,Donald;Hattersley,Maureen;Hird,AlexanderW.;Huntington,Christopher;Kamhi,VictorM.;Laing,NaomiM.;Li,Danyang;MacIntyre,Terry;Omer,CharlesA.;Oza,Vibha;Patterson,Troy;Repik,Galina;Rooney,MichaelT.;Saeh,JamalC.;Sha,Li;Vasbinder,MelissaM.;Wang,Haiyun;Whitston,David[JournalofMedicinalChemistry,2013,vol.56,#24,p.9897-9919]

Literature

Title: Discovery of a novel class of dimeric Smac mimetics as potent IAP antagonists resulting in a clinical candidate for the treatment of cancer (AZD5582).

Journal: Journal of medicinal chemistry 20131227

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