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Home Amines 101622-50-8
101622-50-8,MFCD00189361
Catalog No.:AA0004WH
101622-50-8 | Ethanol, 2-[[7-methyl-6-[(phenylmethyl)amino]-7H-purin-2-yl]amino]-
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5mg
≥98%
in stock  
$123.00   $86.00
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10mg
≥98%
in stock  
$180.00   $126.00
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25mg
≥98%
in stock  
$343.00   $240.00
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50mg
≥98%
in stock  
$564.00   $395.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0004WH
Chemical Name:
Ethanol, 2-[[7-methyl-6-[(phenylmethyl)amino]-7H-purin-2-yl]amino]-
CAS Number:
101622-50-8
Molecular Formula:
C15H18N6O
Molecular Weight:
298.3430
MDL Number:
MFCD00189361
IUPAC Name:
2-[[6-(benzylamino)-7-methylpurin-2-yl]amino]ethanol
InChI:
InChI=1S/C15H18N6O/c1-21-10-18-14-12(21)13(19-15(20-14)16-7-8-22)17-9-11-5-3-2-4-6-11/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
InChI Key:
WOQKMUDQRKXVLO-UHFFFAOYSA-N
SMILES:
OCCNc1nc(NCc2ccccc2)c2c(n1)ncn2C
Properties
Computed Properties
 
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.154g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
298.35g/mol
Monoisotopic Mass:
298.154g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
Iso-Olomoucine 
101622-50-8 
BiomolKI_000047 
BiomolKI2_000053 
BMK1-E11 
SCHEMBL12981789 
CHEBI:93507 
CTK4A0019 
DTXSID40333581 
ZINC2556333 
BDBM50400585 
HSCI1_000009 
6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine 
IN1180 
AKOS022180665 
CCG-100651 
NCGC00163384-01 
AJ-39873 
CC-22465 
RT-013362 
FT-0608483 
C-28478 
J-000452 
Olomoucine, Iso- 
2-(2-Hydroxyethylamino)-6-benzylamino-7-methylpurine 
BRD-K86509404-001-02-0 
BRD-K86509404-001-03-8 
2-[[6-(benzylamino)-7-methyl-purin-2-yl]amino]ethanol 
2-[[6-(benzylamino)-7-methylpurin-2-yl]amino]ethanol 
2-(6-(benzylamino)-7-methyl-7H-purin-2-ylamino)ethanol 
AIDS186720 
CID512292 
CHEMBL1882973 
Ethanol,2-[[7-methyl-6-[(phenylmethyl)amino]-7H-purin-2-yl]amino]- 
Ethanol, 2-[[7-methyl-6-[(phenylmethyl)amino]-7H-purin-2-yl]amino]- 
Isoolomoucine 
ACMC-20enxw 
AC1LAE8V 
Literature

Title: Inhibition of human immunodeficiency virus type-1 by cdk inhibitors.

Journal: AIDS research and therapy 20100101

Title: Inhibition of cyclin-dependent kinase 1 by purines and pyrrolo[2,3-d]pyrimidines does not correlate with antiviral activity.

Journal: Antimicrobial agents and chemotherapy 20020801

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