620175-39-5,MFCD18633190
Catalog No.:AA00ECCE

620175-39-5 | AFN-1252

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$70.00   $49.00
- +
2mg
98%
in stock  
$107.00   $75.00
- +
5mg
98%
in stock  
$164.00   $115.00
- +
50mg
98%
in stock  
$655.00   $459.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ECCE
Chemical Name:
AFN-1252
CAS Number:
620175-39-5
Molecular Formula:
C22H21N3O3
Molecular Weight:
375.4204
MDL Number:
MFCD18633190
SMILES:
O=C1CCc2c(=N1)[nH]cc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C
Properties
Computed Properties
 
Complexity:
622  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Literature

Title: Karlowsky JA, et al. AFN-1252, a FabI inhibitor, demonstrates a Staphylococcus-specific spectrum of activity. Antimicrob Agents Chemother. 2009 Aug;53(8):3544-8.

Title: Narasimha Rao K, et al. AFN-1252 is a potent inhibitor of enoyl-ACP reductase from Burkholderia pseudomallei-Crystal structure, mode of action, and biological activity. Protein Sci. 2015 May;24(5):832-40.

Title: Yao J, et al. Resistance to AFN-1252 arises from missense mutations in Staphylococcus aureus enoyl-acyl carrier protein reductase (FabI). J Biol Chem. 2013 Dec 20;288(51):36261-71.

Title: Parsons JB, et al. Perturbation of Staphylococcus aureus gene expression by the enoyl-acyl carrier protein reductase inhibitor AFN-1252. Antimicrob Agents Chemother. 2013 May;57(5):2182-90.

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Tags:620175-39-5 Molecular Formula|620175-39-5 MDL|620175-39-5 SMILES|620175-39-5 AFN-1252
Catalog No.: AA00ECCE
620175-39-5,MFCD18633190
620175-39-5 | AFN-1252
Pack Size: 1mg
Purity: 98%
in stock
$70.00 $49.00
Pack Size: 2mg
Purity: 98%
in stock
$107.00 $75.00
Pack Size: 5mg
Purity: 98%
in stock
$164.00 $115.00
Pack Size: 50mg
Purity: 98%
in stock
$655.00 $459.00
Quantity
- +
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Technical Information
Catalog Number: AA00ECCE
Chemical Name: AFN-1252
CAS Number: 620175-39-5
Molecular Formula: C22H21N3O3
Molecular Weight: 375.4204
MDL Number: MFCD18633190
SMILES: O=C1CCc2c(=N1)[nH]cc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C
Properties
Complexity: 622  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
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