Home Other Building Blocks 1149705-71-4
1149705-71-4,MFCD22124888
Catalog No.:AA000FFI

1149705-71-4 | XL888

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95+%
in stock  
$24.00   $17.00
- +
5mg
95+%
in stock  
$60.00   $42.00
- +
10mg
95+%
in stock  
$89.00   $62.00
- +
25mg
95+%
in stock  
$150.00   $105.00
- +
50mg
95+%
in stock  
$252.00   $177.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000FFI
Chemical Name:
XL888
CAS Number:
1149705-71-4
Molecular Formula:
C29H37N5O3
Molecular Weight:
503.6358
MDL Number:
MFCD22124888
SMILES:
CC[C@H](Nc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(cn2)C(=O)C2CC2)c(cc1C(=O)N)C)C
Properties
Computed Properties
 
Complexity:
849  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
2  
XLogP3:
4.7  

Literature

Title: High-content, high-throughput analysis of cell cycle perturbations induced by the HSP90 inhibitor XL888.

Journal: PloS one 20110101

Title: Haarberg HE, et al. Inhibition of Wee1, AKT, and CDK4 underlies the efficacy of the HSP90 inhibitor XL888 in an in vivo model of NRAS-mutant melanoma. Mol Cancer Ther. 2013 Jun;12(6):901-12.

Title: Paraiso KH, et al. The HSP90 inhibitor XL888 overcomes BRAF inhibitor resistance mediated through diverse mechanisms. Clin Cancer Res. 2012 May 1;18(9):2502-14.

Title: Bussenius J, et al. Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5396-404.

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