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Hydroxy-PP

CAT: 0013-GTR19235127-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235127-01Size:50 mg
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Description
Hydroxy-PP is a potent dual inhibitor of carbonyl reductase 1 (CBR1; IC50 = 0.78 μM) and the Src-family kinase Fyn (IC50 = 5 nM) . This small molecule is a valuable chemical probe for studying redox signaling and oncogenic kinase pathways in cancer and metabolic disease research, applicable in both in vitro and cellular assays.
CAS Number
833481-60-0
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
NC1=C2C (=NN (C (C) (C) C) C2=NC=N1) C3=CC (O) =CC=C3
Molecular Formula
C15H17N5O
Molecular Weight
283.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
CAS Number833481-60-0
PubChem CID657095
IUPAC Name3-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
Molecular FormulaC15H17N5O
Molecular Weight283.33
XLogP2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity372
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC(=CC=C3)O)N
InChI
InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,21H,1-3H3,(H2,16,17,18)
InChIKey
CPLGZXQPPYRNRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
CAS: 833481-60-0
CID: 657095
Formula: C15H17N5O
MW: 283.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.33
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass283.14331018
Monoisotopic Mass283.14331018
Topological Polar Surface Area89.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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