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PKI-166

CAT: 1410-M33468-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M33468-01Size:2 mg
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Description
PKI-166 is an oral inhibitor of EGF-R tyrosine kinase (IC50:0.7 nM) that is both effective and selective. PKI-166 can effectively inhibit the growth and metastasis of various human cancer cells including pancreatic cancer.
CAS Number
187724-61-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
330.38
Molecular Formula
C20H18N4O
Notes
Research use only, not for human use.
Receptor
VEGFR

Chemical Information

Pki-166

EGFR/HER1/HER2 Inhibitor PKI166 is a pyrrolo-pyrimidine epidermal growth factor receptor (EGFR) protein kinase inhibitor with anti-tumor activity. PKI-166 reversibly inhibits HER1 and HER2 tyrosine kinases, belong to the epidermal growth factor receptor family, thereby inhibiting tumor growth and metastasis.

CAS Number187724-61-4
PubChem CID6918403
IUPAC Name4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
Molecular FormulaC20H18N4O
Molecular Weight330.4
XLogP4.2
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity420
SMILES
C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKey
XRYJULCDUUATMC-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Pki-166
CAS: 187724-61-4
CID: 6918403
Formula: C20H18N4O
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass330.14806121
Monoisotopic Mass330.14806121
Topological Polar Surface Area73.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes