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Home Amines 1380288-87-8
1380288-87-8,MFCD24849416
Catalog No.:AA0039HH

1380288-87-8 | (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((lr,3S)-3-(2-(5-(tert-butyl)-lH-benzo[d]imidazol2yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$34.00   $24.00
- +
2mg
98%
in stock  
$51.00   $36.00
- +
5mg
98%
in stock  
$85.00   $60.00
- +
10mg
98%
in stock  
$126.00   $89.00
- +
100mg
95%
in stock  
$977.00   $684.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0039HH
Chemical Name:
(2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((lr,3S)-3-(2-(5-(tert-butyl)-lH-benzo[d]imidazol2yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol
CAS Number:
1380288-87-8
Molecular Formula:
C30H42N8O3
Molecular Weight:
562.7063
MDL Number:
MFCD24849416
SMILES:
O[C@@H]1[C@@H](CN([C@@H]2C[C@@H](C2)CCc2nc3c([nH]2)cc(cc3)C(C)(C)C)C(C)C)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
Properties
Computed Properties
 
Complexity:
884  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
9  
XLogP3:
4.3  

Literature

Title: Potent inhibition of DOT1L as treatment of MLL-fusion leukemia.

Journal: Blood 20130808

Title: The pathogenesis of mixed-lineage leukemia.

Journal: Annual review of pathology 20120101

Title: MLL-rearranged leukemia is dependent on aberrant H3K79 methylation by DOT1L.

Journal: Cancer cell 20110712

Title: Daigle SR, et al. Potent inhibition of DOT1L as treatment for MLL-fusion leukemia. Blood. 2013 Jun 25. [Epub ahead of print

Title: Klaus CR, et al. DOT1L inhibitor EPZ-5676 displays synergistic antiproliferative activity in combination with standard of care drugs and hypomethylating agents in MLL-rearranged leukemia cells. J Pharmacol Exp Ther. 2014 Sep;350(3):646-56.

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Tags:1380288-87-8 Molecular Formula|1380288-87-8 MDL|1380288-87-8 SMILES|1380288-87-8 (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-((((lr,3S)-3-(2-(5-(tert-butyl)-lH-benzo[d]imidazol2yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol