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1-Naphthyl PP1

CAT: 0013-GTR19170622-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170622-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Naphthyl PP1
CAS Number
221243-82-9
Product Name Alternative
Inhibit, Inhibitor, 1-NA-PP 1, 1Naphthyl PP1, 1-Naphthyl PP1, 1-Naphthyl PP-1, 1 Naphthyl PP1, Src
Field of Research
Cardiovascular Research, Cell Biology, Metabolism Research, Signal Transduction
Purity
99.85% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.15 mM) ; DMSO:12 mg/mL (37.81 mM)
Smiles
CC (C) (C) n1nc (-c2cccc3ccccc23) c2c (N) ncnc12
Molecular Formula
C19H19N5
Molecular Weight
317.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine

1-NA-PP1 is a pyrazolopyrimidine. It has a role as a tyrosine kinase inhibitor.

CAS Number221243-82-9
PubChem CID4877
IUPAC Name1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC19H19N5
Molecular Weight317.4
XLogP3.6
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity448
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N
InChI
InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
InChIKey
XSHQBIXMLULFEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Tert-butyl-3-naphthalen-1-ylpyrazolo(3,4-d)pyrimidin-4-amine
CAS: 221243-82-9
CID: 4877
Formula: C19H19N5
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass317.16404563
Monoisotopic Mass317.16404563
Topological Polar Surface Area69.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity448
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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