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Hydroxy-PP

CAT: 0804-HY-155587-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155587-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydroxy-PP is a potent carbonyl reductase 1 (CBR1) inhibitor with an IC50 value of 0.78 μM. Hydroxy-PP also potently inhibits the cytoplasmic tyrosine kinase Fyn with an IC50 value of 5 nM[1].
CAS Number
833481-60-0
UNSPSC
12352005
Target
Carbonyl Reductase; Src
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hydroxy-pp.html
Purity
99.66
Solubility
DMSO : ≥ 110 mg/mL
Smiles
OC1=CC=CC(C2=NN(C(C)(C)C)C3=C2C(N)=NC=N3)=C1
Molecular Formula
C15H17N5O
Molecular Weight
283.33
References & Citations
[1]Tanaka M, et al. An unbiased cell morphology-based screen for new, biologically active small molecules. PLoS Biol. 2005 May;3 (5) :e128.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CBR1

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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