Products for Research Use Only

PP 3

CAT: 0804-HY-108484-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-108484-02Size:10 mM - 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PP 3 (Compound 3) is an EGFR tyrosine kinase inhibitor with an IC50 of 2.7 μM[1].
CAS Number
5334-30-5
UNSPSC
12352005
Hazard Statement
H315, H319
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pp-3.html
Purity
98.78
Solubility
DMSO : ≥ 100 mg/mL
Smiles
NC1=C2C(N(C3=CC=CC=C3)N=C2)=NC=N1
Molecular Formula
C11H9N5
Molecular Weight
211.23
Precautions
H315, H319
References & Citations
[1]Traxler P, et al. Use of a pharmacophore model for the design of EGF-R tyrosine kinase inhibitors: 4- (phenylamino) pyrazolo[3,4-d]pyrimidines. J Med Chem. 1997 Oct 24;40 (22) :3601-16.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine

1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine is a member of pyrazoles and a ring assembly.

CAS Number5334-30-5
PubChem CID4879
IUPAC Name1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC11H9N5
Molecular Weight211.22
XLogP1.5
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity241
SMILES
C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
InChIKey
KKDPIZPUTYIBFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CAS: 5334-30-5
CID: 4879
Formula: C11H9N5
MW: 211.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.22
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass211.08579531
Monoisotopic Mass211.08579531
Topological Polar Surface Area69.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
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