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Home Amines 1381761-52-9
1381761-52-9,MFCD24873218
Catalog No.:AA00A1C1

1381761-52-9 | 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea

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Purity
Availability
Price(USD)
Quantity
  
10mg
≥98%
in stock  
$457.00   $320.00
- +
50mg
≥98%
in stock  
$1,695.00   $1,187.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00A1C1
Chemical Name:
1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea
CAS Number:
1381761-52-9
Molecular Formula:
C27H41ClN8O4
Molecular Weight:
577.1186
MDL Number:
MFCD24873218
SMILES:
O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)C[C@H]1O[C@H](C([C@H]1O)O)n1cnc2c1ncnc2N.Cl
Properties
Computed Properties
 
Complexity:
790  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
10  
XLogP3:
2.6  

Literature

Title: Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.

Journal: Nature communications 20120101

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SDS
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Tags:1381761-52-9 Molecular Formula|1381761-52-9 MDL|1381761-52-9 SMILES|1381761-52-9 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea