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1027572-46-8,MFCD16251181
Catalog No.:AA00087Y
1027572-46-8 | 4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
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5mg
2 weeks  
$1,661.00   $1,163.00
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50mg
2 weeks  
$4,750.00   $3,325.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA00087Y
Chemical Name:
4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
1027572-46-8
Molecular Formula:
C15H17N5O
Molecular Weight:
283.3284
MDL Number:
MFCD16251181
IUPAC Name:
2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
InChI:
InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-6-4-5-7-10(9)21/h4-8,21H,1-3H3,(H2,16,17,18)
InChI Key:
CPZBAYHPGAUAKO-UHFFFAOYSA-N
SMILES:
O=C1C=CC=C/C/1=c\1/[nH]n(c2c1c(N)ncn2)C(C)(C)C
Properties
Computed Properties
 
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.143g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.335g/mol
Monoisotopic Mass:
283.143g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 
1027572-46-8 
XPHBZJQJIHQPIR-FMIVXFBMSA-N 
CID11254590 
CID 11254590 
1215573-50-4 
Hydroxy-PP 
CTK4A1453 
ZINC44135989 
AJ-109285 
RT-016829 
FT-0661636 
J-000780 
Literature

Title: Carbonyl reductase 1 is a predominant doxorubicin reductase in the human liver.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20081001

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