Home Other Building Blocks 1313613-09-0
1313613-09-0,MFCD28900741
Catalog No.:AA009CE2

1313613-09-0 | AMZ30

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$22.00   $15.00
- +
5mg
98%
in stock  
$53.00   $37.00
- +
10mg
98%
in stock  
$76.00   $54.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009CE2
Chemical Name:
AMZ30
CAS Number:
1313613-09-0
Molecular Formula:
C19H12FN3O6S2
Molecular Weight:
461.4435
MDL Number:
MFCD28900741
SMILES:
N#C/C(=C\c1cccn1S(=O)(=O)c1cccc(c1)[N+](=O)[O-])/S(=O)(=O)c1ccc(cc1)F
Properties
Computed Properties
 
Complexity:
963  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Rotatable Bond Count:
5  
XLogP3:
3  

Downstream Synthesis Route

[1]Bachovchin,DanielA.;Zuhl,AndreaM.;Speers,AnnaE.;Wolfe,MoniqueR.;Weerapana,Eranthie;Brown,StevenJ.;Rosen,Hugh;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2011,vol.54,#14,p.5229-5236]

[1]Locationinpatent:experimentalpartBachovchin,DanielA.;Zuhl,AndreaM.;Speers,AnnaE.;Wolfe,MoniqueR.;Weerapana,Eranthie;Brown,StevenJ.;Rosen,Hugh;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2011,vol.54,#14,p.5229-5236]

[1]Bachovchin,DanielA.;Zuhl,AndreaM.;Speers,AnnaE.;Wolfe,MoniqueR.;Weerapana,Eranthie;Brown,StevenJ.;Rosen,Hugh;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2011,vol.54,#14,p.5229-5236]

Literature

Title: Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1.

Journal: Journal of medicinal chemistry 20110728

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: Bachovchin DA, et al. Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1. J Med Chem. 2011 Jul 28;54(14):5229-36.

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SDS
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