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PD158780

CAT: 0804-HY-18609-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18609-04Size:50 mg
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Description
PD158780 is a potent EGFR family inhibitor with IC50s of 8 pM, 49, 52, 52 nM for EGFR, ErbB2, ErbB3, and ErbB4, respectively.
CAS Number
171179-06-9
UNSPSC
12352005
Hazard Statement
H302
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/PD158780.html
Purity
99.47
Solubility
DMSO : 16.67 mg/mL (ultrasonic)
Smiles
CNC1=CC2=C(NC3=CC(Br)=CC=C3)N=CN=C2C=N1
Molecular Formula
C14H12BrN5
Molecular Weight
330.18
Precautions
H302
References & Citations
[1]Fry DW, et al. Biochemical and antiproliferative properties of 4-[ar (alk) ylamino]pyridopyrimidines, a new chemical class of potent and specific epidermal growth factor receptor tyrosine kinase inhibitor. Biochem Pharmacol. 1997 Oct 15;54 (8) :877-87.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EGFR/ErbB1/HER1; ErbB2/HER2; ErbB3/HER3; ErbB4/HER4

Chemical Information

Pd 158780

PD158780 is a pyridopyrimidine that is pyrido[3,4-d]pyrimidine-4,6-diamine in which the amino groups at positions 4 and 6 are substituted by a m-bromophenyl group and a methyl group, respectively. It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity [IC50 values of 0.008, 49 and 52 nM for EGFR, ErbB2 (HER2) and Erb4 (HER4)]. It does not inhibit FGF or PDGF-mediated tyrosine phosphorylation. Induces G1 cell cycle arrest in MCF10A cells and is antiproliferative in A431 human epidermal carcinoma cells. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a diamine, an aromatic amine, a member of bromobenzenes, a pyridopyrimidine and a secondary amino compound.

CAS Number171179-06-9
PubChem CID4707
IUPAC Name4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
Molecular FormulaC14H12BrN5
Molecular Weight330.18
XLogP3.4
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br
InChI
InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)
InChIKey
KFHMLBXBRCITHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pd 158780
CAS: 171179-06-9
CID: 4707
Formula: C14H12BrN5
MW: 330.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.18
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass329.02761
Monoisotopic Mass329.02761
Topological Polar Surface Area62.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
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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